2081-0694 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide

2081-0694 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
2081-0694 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-0694
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide

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

2081-0694

Molecular Formula

C21H14BrClN2O2 (C21 H14 BrClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H14BrClN2O2/c1-12-4-2-3-5-15(12)20(26)24-14-7-9-19-18(11-14)25-21(27-19)16-10-13(22)6-8-17(16)23/h2-11H,1H3,(H,24,26)

InChI Key

VMKJIYJVHVBZCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.118

Distribution Coefficient, logD

6.114

Water Solubility, LogSw

-6.12

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 2081-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-0694?
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What is the minimum amount of 2081-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-0694
  • 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 2081-0694 available by request