C064-0439 Screening compound: N-{2-[3-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}thiophene-2-carboxamide

C064-0439 Screening compound: N-{2-[3-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}thiophene-2-carboxamide
C064-0439 Screening compound: N-{2-[3-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0439
N-{2-[3-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}thiophene-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

C064-0439

Molecular Formula

C20H18N4O2S3 (C20 H18 N4 O2 S3)

Compound Name

N-{2-[3-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}thiophene-2-carboxamide

IUPAC name

N-{2-[3-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}thiophene-2-carboxamide

SMILES

O=C(CSc1cn(CCNC(c2cccs2)=O)c2c1cccc2)Nc1nccs1

InChI

InChI=1S/C20H18N4O2S3/c25-18(23-20-22-8-11-28-20)13-29-17-12-24(15-5-2-1-4-14(15)17)9-7-21-19(26)16-6-3-10-27-16/h1-6,8,10-12H,7,9,13H2,(H,21,26)(H,22,23,25)

InChI Key

HESLSYFWCOMUGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.19

Polar Surface Area

60.850

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C064-0439 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C064-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0439?
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What is the minimum amount of C064-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0439
  • 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 C064-0439 available by request