PERK-IN-5

CAT: 0607-BA4407-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA4407-5Size:5 mg

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

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CAS Number

2616821-91-9

Form

A solid

Molecular Formula

C25H26F2N4O3

Molecular Weight

468.50

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Perk-IN-5

CAS Number	2616821-91-9
PubChem CID	163196452
IUPAC Name	2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-ethylphenyl]-N-propan-2-ylpyridine-3-carboxamide
Molecular Formula	C25H26F2N4O3
Molecular Weight	468.5
XLogP	4
Topological Polar Surface Area	117
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	34
Formal Charge	0
Complexity	687

SMILES

CCC1=C(C=CC(=C1)NC(=O)[C@@H](C2=CC(=CC(=C2)F)F)O)C3=CC(=C(N=C3)N)C(=O)NC(C)C

InChI

InChI=1S/C25H26F2N4O3/c1-4-14-9-19(31-25(34)22(32)15-7-17(26)11-18(27)8-15)5-6-20(14)16-10-21(23(28)29-12-16)24(33)30-13(2)3/h5-13,22,32H,4H2,1-3H3,(H2,28,29)(H,30,33)(H,31,34)/t22-/m1/s1

InChIKey

YNDQMKBAYRFBMW-JOCHJYFZSA-N

Chemical Structure

2D Structure

CAS: 2616821-91-9

CID: 163196452

Formula: C25H26F2N4O3

MW: 468.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	468.5
XLogP3	4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	468.19729703
Monoisotopic Mass	468.19729703
Topological Polar Surface Area	117 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	687
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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T63008-01	PERK-IN-5
HY-145835A	(S) -PERK-IN-5
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sc-377400	PERK (B-5)
sc-377400 PE	PERK (B-5) PE
sc-377400 HRP	PERK (B-5) HRP
sc-377400 FITC	PERK (B-5) FITC
sc-377400 AC	PERK (B-5) AC
327968-01	PERK
sc-377400 AF594	PERK (B-5) Alexa Fluor® 594

PERK-IN-5

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