3759-1370 Screening compound: N-(4-chlorophenyl)-2-(thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

3759-1370 Screening compound: N-(4-chlorophenyl)-2-(thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
3759-1370 Screening compound: N-(4-chlorophenyl)-2-(thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3759-1370
N-(4-chlorophenyl)-2-(thiophene-2-amido)-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

3759-1370

Molecular Formula

C20H17ClN2O2S2 (C20 H17 ClN2 O2 S2)

Compound Name

N-(4-chlorophenyl)-2-(thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-(4-chlorophenyl)-2-(thiophene-2-amido)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

O=C(c1cccs1)Nc1c(C(Nc(cc2)ccc2Cl)=O)c(CCCC2)c2s1

InChI

InChI=1S/C20H17ClN2O2S2/c21-12-7-9-13(10-8-12)22-19(25)17-14-4-1-2-5-15(14)27-20(17)23-18(24)16-6-3-11-26-16/h3,6-11H,1-2,4-5H2,(H,22,25)(H,23,24)

InChI Key

MWMKAANHIJJXDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00782429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.549

Distribution Coefficient, logD

5.153

Water Solubility, LogSw

-6.30

Polar Surface Area

47.154

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3759-1370 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3759-1370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3759-1370?
Check Price and Availability of 3759-1370, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3759-1370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3759-1370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3759-1370
  • 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 3759-1370 available by request