2081-0693 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-iodobenzamide

2081-0693 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-iodobenzamide
2081-0693 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-iodobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-0693
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-iodobenzamide

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

2081-0693

Molecular Formula

C20H11BrClIN2O2 (C20 H11 BrClIN2 O2)

Compound Name

N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-4-iodobenzamide

IUPAC name

N-[2-(5-bromo-2-chlorophenyl)-13-benzoxazol-5-yl]-4-iodobenzamide

SMILES

O=C(c(cc1)ccc1I)Nc(cc1)cc2c1oc(-c(cc(cc1)Br)c1Cl)n2

InChI

InChI=1S/C20H11BrClIN2O2/c21-12-3-7-16(22)15(9-12)20-25-17-10-14(6-8-18(17)27-20)24-19(26)11-1-4-13(23)5-2-11/h1-10H,(H,24,26)

InChI Key

VRZROYQEAJNCDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.58

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

7.109

Distribution Coefficient, logD

7.108

Water Solubility, LogSw

-6.72

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2081-0693 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 2081-0693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-0693?
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What is the minimum amount of 2081-0693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-0693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-0693
  • 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 2081-0693 available by request