C064-0257 Screening compound: N-{2-[3-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-3-(trifluoromethyl)benzamide

C064-0257 Screening compound: N-{2-[3-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-3-(trifluoromethyl)benzamide
C064-0257 Screening compound: N-{2-[3-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0257
N-{2-[3-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-3-(trifluoromethyl)benzamide

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

C064-0257

Molecular Formula

C26H21BrF3N3O2S (C26 H21 BrF3 N3 O2 S)

Compound Name

N-{2-[3-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-3-(trifluoromethyl)benzamide

IUPAC name

N-{2-[3-({[(4-bromophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-3-(trifluoromethyl)benzamide

SMILES

O=C(CSc1cn(CCNC(c2cc(C(F)(F)F)ccc2)=O)c2c1cccc2)Nc(cc1)ccc1Br

InChI

InChI=1S/C26H21BrF3N3O2S/c27-19-8-10-20(11-9-19)32-24(34)16-36-23-15-33(22-7-2-1-6-21(22)23)13-12-31-25(35)17-4-3-5-18(14-17)26(28,29)30/h1-11,14-15H,12-13,16H2,(H,31,35)(H,32,34)

InChI Key

OCRJEOYQKRSXST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.728

Distribution Coefficient, logD

5.728

Water Solubility, LogSw

-6.15

Polar Surface Area

49.353

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C064-0257 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C064-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0257?
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What is the minimum amount of C064-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0257
  • 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 C064-0257 available by request