2081-0698 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2,5-dichlorobenzamide

2081-0698 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2,5-dichlorobenzamide
2081-0698 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2,5-dichlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-0698
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-2,5-dichlorobenzamide

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

2081-0698

Molecular Formula

C20H10BrCl3N2O2 (C20 H10 BrCl3 N2 O2)

Compound Name

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

IUPAC name

N-[2-(5-bromo-2-chlorophenyl)-13-benzoxazol-5-yl]-25-dichlorobenzamide

SMILES

O=C(c(cc(cc1)Cl)c1Cl)Nc(cc1)cc2c1oc(-c(cc(cc1)Br)c1Cl)n2

InChI

InChI=1S/C20H10BrCl3N2O2/c21-10-1-4-16(24)14(7-10)20-26-17-9-12(3-6-18(17)28-20)25-19(27)13-8-11(22)2-5-15(13)23/h1-9H,(H,25,27)

InChI Key

YLCOANJSLFHROO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.57

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

7.132

Distribution Coefficient, logD

7.056

Water Solubility, LogSw

-6.77

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2081-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-0698?
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What is the minimum amount of 2081-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-0698
  • 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 2081-0698 available by request