D443-1862 Screening compound: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide

D443-1862 Screening compound: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide
D443-1862 Screening compound: 1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D443-1862
1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-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

D443-1862

Molecular Formula

C24H16ClN9O2 (C24 H16 ClN9 O2)

Compound Name

1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-[4-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-[3-(4-chlorophenyl)-21-benzoxazol-5-yl]-5-methyl-N-[4-(1H-1234-tetrazol-1-yl)phenyl]-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(Nc(cc2)ccc2-n2nnnc2)=O)nnn1-c1cc2c(-c(cc3)ccc3Cl)onc2cc1

InChI

InChI=1S/C24H16ClN9O2/c1-14-22(24(35)27-17-6-8-18(9-7-17)33-13-26-30-32-33)28-31-34(14)19-10-11-21-20(12-19)23(36-29-21)15-2-4-16(25)5-3-15/h2-13H,1H3,(H,27,35)

InChI Key

FBYJUJODUBVUTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09983560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.561

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.73

Polar Surface Area

111.421

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

D443-1862 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D443-1862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D443-1862?
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What is the minimum amount of D443-1862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D443-1862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D443-1862
  • 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 D443-1862 available by request