3772-2730 Screening compound: 2-{4-[(2-chloro-6-fluorophenyl)methoxy]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

3772-2730 Screening compound: 2-{4-[(2-chloro-6-fluorophenyl)methoxy]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
3772-2730 Screening compound: 2-{4-[(2-chloro-6-fluorophenyl)methoxy]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-2730
2-{4-[(2-chloro-6-fluorophenyl)methoxy]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-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

3772-2730

Molecular Formula

C23H20ClFN2O3S (C23 H20 ClFN2 O3 S)

Compound Name

2-{4-[(2-chloro-6-fluorophenyl)methoxy]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-{4-[(2-chloro-6-fluorophenyl)methoxy]benzamido}-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

NC(c1c(NC(c(cc2)ccc2OCc(c(F)ccc2)c2Cl)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C23H20ClFN2O3S/c24-17-5-3-6-18(25)16(17)12-30-14-10-8-13(9-11-14)22(29)27-23-20(21(26)28)15-4-1-2-7-19(15)31-23/h3,5-6,8-11H,1-2,4,7,12H2,(H2,26,28)(H,27,29)

InChI Key

QGNHSDOHZHJDAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02928241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.005

Distribution Coefficient, logD

2.722

Water Solubility, LogSw

-4.72

Polar Surface Area

64.331

Acid Dissociation Constant (pKa)

6.14

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

3772-2730 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 3772-2730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-2730?
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What is the minimum amount of 3772-2730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-2730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-2730
  • 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 3772-2730 available by request