4321-0392 Screening compound: N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide

4321-0392 Screening compound: N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
4321-0392 Screening compound: N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4321-0392
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-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

4321-0392

Molecular Formula

C19H12BrN3O2 (C19 H12 BrN3 O2)

Compound Name

N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide

IUPAC name

N-[2-(2-bromophenyl)-13-benzoxazol-5-yl]pyridine-3-carboxamide

SMILES

O=C(c1cnccc1)Nc(cc1)cc2c1oc(-c(cccc1)c1Br)n2

InChI

InChI=1S/C19H12BrN3O2/c20-15-6-2-1-5-14(15)19-23-16-10-13(7-8-17(16)25-19)22-18(24)12-4-3-9-21-11-12/h1-11H,(H,22,24)

InChI Key

KRXCZRLUXXDDEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01817028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.625

Distribution Coefficient, logD

3.622

Water Solubility, LogSw

-3.88

Polar Surface Area

49.658

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4321-0392 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4321-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4321-0392?
Check Price and Availability of 4321-0392, 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 4321-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4321-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4321-0392
  • 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 4321-0392 available by request