1611-4774 Screening compound: 6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide

1611-4774 Screening compound: 6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide
1611-4774 Screening compound: 6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-4774
6-bromo-3-chloro-N-(2-methoxyphenyl)-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

1611-4774

Molecular Formula

C16H11BrClNO2S (C16 H11 BrClNO2 S)

Compound Name

6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide

IUPAC name

6-bromo-3-chloro-N-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide

SMILES

COc(cccc1)c1NC(c(sc1c2ccc(Br)c1)c2Cl)=O

InChI

InChI=1S/C16H11BrClNO2S/c1-21-12-5-3-2-4-11(12)19-16(20)15-14(18)10-7-6-9(17)8-13(10)22-15/h2-8H,1H3,(H,19,20)

InChI Key

QLBSQESXUYAFEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01072314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.69

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.501

Distribution Coefficient, logD

5.498

Water Solubility, LogSw

-5.97

Polar Surface Area

31.009

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1611-4774 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1611-4774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-4774?
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What is the minimum amount of 1611-4774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-4774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-4774
  • 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 1611-4774 available by request