C712-1043 Screening compound: N-(3-chloro-4-fluorophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide

C712-1043 Screening compound: N-(3-chloro-4-fluorophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
C712-1043 Screening compound: N-(3-chloro-4-fluorophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-1043
N-(3-chloro-4-fluorophenyl)-4H-thieno[3,2-c]chromene-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

C712-1043

Molecular Formula

C18H11ClFNO2S (C18 H11 ClFNO2 S)

Compound Name

N-(3-chloro-4-fluorophenyl)-4H-thieno[3,2-c]chromene-2-carboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-4H-thieno[32-c]chromene-2-carboxamide

SMILES

O=C(c1cc(COc2c-3cccc2)c3s1)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C18H11ClFNO2S/c19-13-8-11(5-6-14(13)20)21-18(22)16-7-10-9-23-15-4-2-1-3-12(15)17(10)24-16/h1-8H,9H2,(H,21,22)

InChI Key

QUWZQNSGBCIYJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.100

Distribution Coefficient, logD

5.093

Water Solubility, LogSw

-5.34

Polar Surface Area

32.446

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C712-1043 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C712-1043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-1043?
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What is the minimum amount of C712-1043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-1043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-1043
  • 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 C712-1043 available by request