INSCoV-614 (1B)

CAT: 0931-T63483-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T63483-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2735704-33-1

Target

Others, SARS-CoV

Related Pathways

Others, Microbiology/Virology

Bioactivity

INSCoV-614 (1B) is a potent Mpro (3CLpro) inhibitor associated with viral transcription and replication. This compound has demonstrated research potential for SARS-CoV-2 infection by targeting the proteases PLpro and 3CLpro.

Smiles

[C@@H](N(C([C@H](Cl)F)=O)C1=CC=C(C=C1)C2=CC=NO2)(C(NC3CCC(F)(F)CC3)=O)C=4C=NC=NC4

Molecular Formula

C23H21ClF3N5O3

Molecular Weight

507.89

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

INSCoV-614(1B)

CAS Number	2735704-33-1
PubChem CID	163322132
IUPAC Name	(2S)-2-[N-[(2S)-2-chloro-2-fluoroacetyl]-4-(1,2-oxazol-5-yl)anilino]-N-(4,4-difluorocyclohexyl)-2-pyrimidin-5-ylacetamide
Molecular Formula	C23H21ClF3N5O3
Molecular Weight	507.9
XLogP	3.7
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	35
Formal Charge	0
Complexity	727

SMILES

C1CC(CCC1NC(=O)[C@H](C2=CN=CN=C2)N(C3=CC=C(C=C3)C4=CC=NO4)C(=O)[C@@H](F)Cl)(F)F

InChI

InChI=1S/C23H21ClF3N5O3/c24-20(25)22(34)32(17-3-1-14(2-4-17)18-7-10-30-35-18)19(15-11-28-13-29-12-15)21(33)31-16-5-8-23(26,27)9-6-16/h1-4,7,10-13,16,19-20H,5-6,8-9H2,(H,31,33)/t19-,20+/m0/s1

InChIKey

AXOSYDUPSLYKSA-VQTJNVASSA-N

Chemical Structure

2D Structure

CAS: 2735704-33-1

CID: 163322132

Formula: C23H21ClF3N5O3

MW: 507.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	507.9
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	507.1285017
Monoisotopic Mass	507.1285017
Topological Polar Surface Area	101 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	727
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T63462-01	INSCoV-601I (1)
T63461-01	INSCoV-600K (1)
T32807-01	LK-614
TPL0120-01	Compound 614-29-9
TPL0318-01	Compound 614-97-1
TP1643-01	Alpha 1 (I) Collagen (614-639), human
TN10612-01	Pyralomicin 1b
TN4118	GB 1b
T85335-01	MY-1B
TN10104-01	Roselipin 1B

Alternative Products

Catalog	Name
GTR19185167-01	INSCoV-614 (1B)
MBS5806151	INSCoV-614(1B)
HY-144061	INSCoV-601I (1)
MBS5806132	INSCoV-601I(1)
MBS5806131	INSCoV-600K(1)
HY-144063	INSCoV-600K (1)
TRC-F370035-250MG	FK 614
M34641-01	LK-614
HY-126164-01	LK 614
255060-01	CX 614

INSCoV-614 (1B)

Chemical Information

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