1611-4923 Screening compound: 3,4-dichloro-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide

1611-4923 Screening compound: 3,4-dichloro-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
1611-4923 Screening compound: 3,4-dichloro-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-4923
3,4-dichloro-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-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

1611-4923

Molecular Formula

C16H8Cl2F3NOS (C16 H8 Cl2 F3 NOS)

Compound Name

3,4-dichloro-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide

IUPAC name

34-dichloro-N-[3-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide

SMILES

O=C(c(sc1cccc(Cl)c11)c1Cl)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C16H8Cl2F3NOS/c17-10-5-2-6-11-12(10)13(18)14(24-11)15(23)22-9-4-1-3-8(7-9)16(19,20)21/h1-7H,(H,22,23)

InChI Key

IBCORCGYMFRPPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.21

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.380

Distribution Coefficient, logD

6.178

Water Solubility, LogSw

-6.73

Polar Surface Area

24.076

Acid Dissociation Constant (pKa)

7.63

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1611-4923 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1611-4923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-4923?
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What is the minimum amount of 1611-4923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-4923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-4923
  • 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 1611-4923 available by request