4357-2315 Screening compound: 1-hydroxy-3-methyl-2-[(4H-1,2,4-triazol-4-ylimino)methyl]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4357-2315 Screening compound: 1-hydroxy-3-methyl-2-[(4H-1,2,4-triazol-4-ylimino)methyl]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4357-2315 Screening compound: 1-hydroxy-3-methyl-2-[(4H-1,2,4-triazol-4-ylimino)methyl]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4357-2315
1-hydroxy-3-methyl-2-[(4H-1,2,4-triazol-4-ylimino)methyl]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4357-2315

Molecular Formula

C16H11N7O (C16 H11 N7 O)

Compound Name

1-hydroxy-3-methyl-2-[(4H-1,2,4-triazol-4-ylimino)methyl]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-hydroxy-11-methyl-12-[(E)-[(4H-124-triazol-4-yl)imino]methyl]-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(c(/C=N/n1cnnc1)c(n1c2nc3c1cccc3)O)c2C#N

InChI

InChI=1S/C16H11N7O/c1-10-11(6-17)15-21-13-4-2-3-5-14(13)23(15)16(24)12(10)7-20-22-8-18-19-9-22/h2-5,7-9,24H,1H3

InChI Key

HZSPMIFYOWQXNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00991899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.262

Distribution Coefficient, logD

-3.357

Water Solubility, LogSw

-0.95

Polar Surface Area

74.507

Acid Dissociation Constant (pKa)

2.78

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

4357-2315 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4357-2315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4357-2315?
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What is the minimum amount of 4357-2315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4357-2315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4357-2315
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4357-2315 available by request