D75-4590

CAT: 0127-BUP12510-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12510-05Size:100 mg

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

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CAS Number

384376-42-5

Purity

=98%

Smiles

CCN(CC)CCNc1c(CC)c(C)c(C#N)c2nc3ccccc3n12

Chemical Information

D75-4590

a small-molecule inhibitor of beta-1,6-glucan synthesis, antifungal; structure in first source

CAS Number	384376-42-5
PubChem CID	948175
IUPAC Name	1-[2-(diethylamino)ethylamino]-2-ethyl-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
Molecular Formula	C21H27N5
Molecular Weight	349.5
XLogP	5.2
Topological Polar Surface Area	56.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	26
Formal Charge	0
Complexity	496

SMILES

CCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCN(CC)CC

InChI

InChI=1S/C21H27N5/c1-5-16-15(4)17(14-22)21-24-18-10-8-9-11-19(18)26(21)20(16)23-12-13-25(6-2)7-3/h8-11,23H,5-7,12-13H2,1-4H3

InChIKey

DMKNXKIUSPUYQP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 384376-42-5

CID: 948175

Formula: C21H27N5

MW: 349.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	349.5
XLogP3	5.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	349.22664588
Monoisotopic Mass	349.22664588
Topological Polar Surface Area	56.4 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	496
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BITP1259	RHuCD4 459

Catalog	Name
BA1750-25	D75-4590
HY-109506S8-01	DPPC-d75
BS3543-01	MIP-1α (D75) polyclonal antibody
HY-151993S	2-Hydroxypropane-1,3-diyl distearate-d75