D050-0082 Screening compound: N-(1,2-benzoxazol-3-yl)-2-bromo-5-methoxybenzamide

D050-0082 Screening compound: N-(1,2-benzoxazol-3-yl)-2-bromo-5-methoxybenzamide
D050-0082 Screening compound: N-(1,2-benzoxazol-3-yl)-2-bromo-5-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D050-0082
N-(1,2-benzoxazol-3-yl)-2-bromo-5-methoxybenzamide

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

D050-0082

Molecular Formula

C15H11BrN2O3 (C15 H11 BrN2 O3)

Compound Name

N-(1,2-benzoxazol-3-yl)-2-bromo-5-methoxybenzamide

IUPAC name

N-(12-benzoxazol-3-yl)-2-bromo-5-methoxybenzamide

SMILES

COc(cc1)cc(C(Nc2noc3c2cccc3)=O)c1Br

InChI

InChI=1S/C15H11BrN2O3/c1-20-9-6-7-12(16)11(8-9)15(19)17-14-10-4-2-3-5-13(10)21-18-14/h2-8H,1H3,(H,17,18,19)

InChI Key

ZJENPEQCFIRICQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08362418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.17

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

3.751

Distribution Coefficient, logD

3.657

Water Solubility, LogSw

-4.17

Polar Surface Area

52.942

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D050-0082 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D050-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D050-0082?
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What is the minimum amount of D050-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D050-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D050-0082
  • 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 D050-0082 available by request