2081-0707 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide

2081-0707 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
2081-0707 Screening compound: N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2081-0707
N-[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide

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

2081-0707

Molecular Formula

C20H11BrClN3O4 (C20 H11 BrClN3 O4)

Compound Name

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

IUPAC name

N-[2-(5-bromo-2-chlorophenyl)-13-benzoxazol-5-yl]-3-nitrobenzamide

SMILES

[O-][N+](c1cccc(C(Nc(cc2)cc3c2oc(-c(cc(cc2)Br)c2Cl)n3)=O)c1)=O

InChI

InChI=1S/C20H11BrClN3O4/c21-12-4-6-16(22)15(9-12)20-24-17-10-13(5-7-18(17)29-20)23-19(26)11-2-1-3-14(8-11)25(27)28/h1-10H,(H,23,26)

InChI Key

GGPGOQPYJVVKEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01145398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.845

Distribution Coefficient, logD

5.828

Water Solubility, LogSw

-6.12

Polar Surface Area

73.521

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2081-0707 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2081-0707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2081-0707?
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What is the minimum amount of 2081-0707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2081-0707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2081-0707
  • 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 2081-0707 available by request