2276-0582 Screening compound: N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

2276-0582 Screening compound: N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
2276-0582 Screening compound: N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2276-0582
N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

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

2276-0582

Molecular Formula

C22H12Cl2N2O3 (C22 H12 Cl2 N2 O3)

Compound Name

N-[4-chloro-3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

IUPAC name

N-[4-chloro-3-(5-chloro-13-benzoxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide

SMILES

O=C(c1cc(cccc2)c2o1)Nc(cc1)cc(-c2nc(cc(cc3)Cl)c3o2)c1Cl

InChI

InChI=1S/C22H12Cl2N2O3/c23-13-5-8-19-17(10-13)26-22(29-19)15-11-14(6-7-16(15)24)25-21(27)20-9-12-3-1-2-4-18(12)28-20/h1-11H,(H,25,27)

InChI Key

HETUKNYHNJSTIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01648893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.680

Distribution Coefficient, logD

6.680

Water Solubility, LogSw

-6.70

Polar Surface Area

48.433

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2276-0582 in Drug Discovery

Included in Screening Libraries

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 2276-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2276-0582?
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What is the minimum amount of 2276-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2276-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2276-0582
  • 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 2276-0582 available by request