8544-0676 Screening compound: N-(2-cyanophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide

8544-0676 Screening compound: N-(2-cyanophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
8544-0676 Screening compound: N-(2-cyanophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8544-0676
N-(2-cyanophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide

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

8544-0676

Molecular Formula

C24H16N6O2 (C24 H16 N6 O2)

Compound Name

N-(2-cyanophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(2-cyanophenyl)-5-methyl-1-(3-phenyl-21-benzoxazol-5-yl)-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(Nc(cccc2)c2C#N)=O)nnn1-c1cc2c(-c3ccccc3)onc2cc1

InChI

InChI=1S/C24H16N6O2/c1-15-22(24(31)26-20-10-6-5-9-17(20)14-25)27-29-30(15)18-11-12-21-19(13-18)23(32-28-21)16-7-3-2-4-8-16/h2-13H,1H3,(H,26,31)

InChI Key

PFEQCRITBJJGSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09760415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.219

Distribution Coefficient, logD

4.184

Water Solubility, LogSw

-4.37

Polar Surface Area

88.014

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

References: we are preparing a list of scientific research reports with 8544-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8544-0676?
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What is the minimum amount of 8544-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8544-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8544-0676
  • 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 8544-0676 available by request