D731-0561 Screening compound: 7-chloro-N-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

D731-0561 Screening compound: 7-chloro-N-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
D731-0561 Screening compound: 7-chloro-N-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0561
7-chloro-N-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-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

D731-0561

Molecular Formula

C16H11ClFNO3 (C16 H11 ClFNO3)

Compound Name

7-chloro-N-(4-fluorophenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide

IUPAC name

7-chloro-N-(4-fluorophenyl)-1-oxo-34-dihydro-1H-2-benzopyran-3-carboxamide

SMILES

O=C(C(Cc(cc1)c2cc1Cl)OC2=O)Nc(cc1)ccc1F

InChI

InChI=1S/C16H11ClFNO3/c17-10-2-1-9-7-14(22-16(21)13(9)8-10)15(20)19-12-5-3-11(18)4-6-12/h1-6,8,14H,7H2,(H,19,20)/t14-/m1/s1

InChI Key

RREAESQCOYAFMF-CQSZACIVSA-N

MDL Number (MFCD)

MFCD08542727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.568

Distribution Coefficient, logD

3.567

Water Solubility, LogSw

-3.98

Polar Surface Area

44.154

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

D731-0561 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D731-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0561?
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What is the minimum amount of D731-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0561
  • 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 D731-0561 available by request