D443-1772 Screening compound: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide

D443-1772 Screening compound: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide
D443-1772 Screening compound: 1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D443-1772
1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(1,3-thiazol-2-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

D443-1772

Molecular Formula

C20H13BrN6O2S (C20 H13 BrN6 O2 S)

Compound Name

1-[3-(4-bromophenyl)-2,1-benzoxazol-5-yl]-5-methyl-N-(1,3-thiazol-2-yl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-[3-(4-bromophenyl)-21-benzoxazol-5-yl]-5-methyl-N-(13-thiazol-2-yl)-1H-123-triazole-4-carboxamide

SMILES

Cc1c(C(Nc2nccs2)=O)nnn1-c1cc2c(-c(cc3)ccc3Br)onc2cc1

InChI

InChI=1S/C20H13BrN6O2S/c1-11-17(19(28)23-20-22-8-9-30-20)24-26-27(11)14-6-7-16-15(10-14)18(29-25-16)12-2-4-13(21)5-3-12/h2-10H,1H3,(H,22,23,28)

InChI Key

YOVQKVPOPSCKPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09983548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.808

Distribution Coefficient, logD

4.788

Water Solubility, LogSw

-4.72

Polar Surface Area

82.134

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

D443-1772 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D443-1772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D443-1772?
Check Price and Availability of D443-1772, 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 D443-1772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D443-1772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D443-1772
  • 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 D443-1772 available by request