2081-0702 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide

2081-0702 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide
2081-0702 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-0702
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-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

2081-0702

Molecular Formula

C21H14BrClN2O3 (C21 H14 BrClN2 O3)

Compound Name

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

IUPAC name

N-[2-(5-bromo-2-chlorophenyl)-13-benzoxazol-5-yl]-2-methoxybenzamide

SMILES

COc(cccc1)c1C(Nc(cc1)cc2c1oc(-c(cc(cc1)Br)c1Cl)n2)=O

InChI

InChI=1S/C21H14BrClN2O3/c1-27-18-5-3-2-4-14(18)20(26)24-13-7-9-19-17(11-13)25-21(28-19)15-10-12(22)6-8-16(15)23/h2-11H,1H3,(H,24,26)

InChI Key

WBISCVKLJAYJKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.71

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.724

Distribution Coefficient, logD

5.701

Water Solubility, LogSw

-6.00

Polar Surface Area

47.770

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2081-0702 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2081-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-0702?
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What is the minimum amount of 2081-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-0702
  • 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 2081-0702 available by request