2501-0869 Screening compound: N-(4-chlorophenyl)-6-methyl-2-(thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2501-0869 Screening compound: N-(4-chlorophenyl)-6-methyl-2-(thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2501-0869 Screening compound: N-(4-chlorophenyl)-6-methyl-2-(thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2501-0869
N-(4-chlorophenyl)-6-methyl-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

2501-0869

Molecular Formula

C21H19ClN2O2S2 (C21 H19 ClN2 O2 S2)

Compound Name

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

IUPAC name

N-(4-chlorophenyl)-6-methyl-2-(thiophene-2-amido)-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(CC1)Cc2c1c(C(Nc(cc1)ccc1Cl)=O)c(NC(c1cccs1)=O)s2

InChI

InChI=1S/C21H19ClN2O2S2/c1-12-4-9-15-17(11-12)28-21(24-19(25)16-3-2-10-27-16)18(15)20(26)23-14-7-5-13(22)6-8-14/h2-3,5-8,10,12H,4,9,11H2,1H3,(H,23,26)(H,24,25)/t12-/m1/s1

InChI Key

FHHNUJCHIJZUCB-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD00782454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.98

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

5.983

Distribution Coefficient, logD

5.587

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

1.00

Percent sp3 carbon bonding

23.80

2501-0869 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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 2501-0869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2501-0869?
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What is the minimum amount of 2501-0869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2501-0869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2501-0869
  • 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 2501-0869 available by request