8544-0617 Screening compound: N-(4-bromophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide

8544-0617 Screening compound: N-(4-bromophenyl)-5-methyl-1-(3-phenyl-2,1-benzoxazol-5-yl)-1H-1,2,3-triazole-4-carboxamide
8544-0617 Screening compound: N-(4-bromophenyl)-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 8544-0617
N-(4-bromophenyl)-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

8544-0617

Molecular Formula

C23H16BrN5O2 (C23 H16 BrN5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Nc(cc2)ccc2Br)=O)nnn1-c1cc2c(-c3ccccc3)onc2cc1

InChI

InChI=1S/C23H16BrN5O2/c1-14-21(23(30)25-17-9-7-16(24)8-10-17)26-28-29(14)18-11-12-20-19(13-18)22(31-27-20)15-5-3-2-4-6-15/h2-13H,1H3,(H,25,30)

InChI Key

UCMSYTODQWSWCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08568684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.437

Distribution Coefficient, logD

5.433

Water Solubility, LogSw

-5.58

Polar Surface Area

71.656

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

8544-0617 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8544-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8544-0617?
Check Price and Availability of 8544-0617, 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 8544-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8544-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8544-0617
  • 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 8544-0617 available by request