D443-1749 Screening compound: 4-{1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-amido}benzoic acid

D443-1749 Screening compound: 4-{1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-amido}benzoic acid
D443-1749 Screening compound: 4-{1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-amido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D443-1749
4-{1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-amido}benzoic acid

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

D443-1749

Molecular Formula

C24H16ClN5O4 (C24 H16 ClN5 O4)

Compound Name

4-{1-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]-5-methyl-1H-1,2,3-triazole-4-amido}benzoic acid

IUPAC name

4-{1-[3-(4-chlorophenyl)-21-benzoxazol-5-yl]-5-methyl-1H-123-triazole-4-amido}benzoic acid

SMILES

Cc1c(C(Nc(cc2)ccc2C(O)=O)=O)nnn1-c1cc2c(-c(cc3)ccc3Cl)onc2cc1

InChI

InChI=1S/C24H16ClN5O4/c1-13-21(23(31)26-17-8-4-15(5-9-17)24(32)33)27-29-30(13)18-10-11-20-19(12-18)22(34-28-20)14-2-6-16(25)7-3-14/h2-12H,1H3,(H,26,31)(H,32,33)

InChI Key

VZRLWVVOUGEJJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10082075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.151

Distribution Coefficient, logD

2.756

Water Solubility, LogSw

-5.38

Polar Surface Area

100.064

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

D443-1749 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 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 D443-1749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D443-1749?
Check Price and Availability of D443-1749, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D443-1749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D443-1749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D443-1749
  • 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 D443-1749 available by request