C064-0277 Screening compound: N-[2-(3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide

C064-0277 Screening compound: N-[2-(3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
C064-0277 Screening compound: N-[2-(3-{[(3,4-dichlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0277
N-[2-(3-{[(3,4-dichlorophenyl)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

C064-0277

Molecular Formula

C25H19Cl2F3N2OS (C25 H19 Cl2 F3 N2 OS)

Compound Name

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

IUPAC name

N-[2-(3-{[(34-dichlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide

SMILES

O=C(c1cc(C(F)(F)F)ccc1)NCCn1c(cccc2)c2c(SCc(cc2)cc(Cl)c2Cl)c1

InChI

InChI=1S/C25H19Cl2F3N2OS/c26-20-9-8-16(12-21(20)27)15-34-23-14-32(22-7-2-1-6-19(22)23)11-10-31-24(33)17-4-3-5-18(13-17)25(28,29)30/h1-9,12-14H,10-11,15H2,(H,31,33)

InChI Key

RMVFCKMSDVLMAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.813

Distribution Coefficient, logD

6.813

Water Solubility, LogSw

-6.69

Polar Surface Area

26.204

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C064-0277 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C064-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0277?
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What is the minimum amount of C064-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0277
  • 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 C064-0277 available by request