C064-0235 Screening compound: N-[2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide

C064-0235 Screening compound: N-[2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
C064-0235 Screening compound: N-[2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0235
N-[2-(3-{[(2-chlorophenyl)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

C064-0235

Molecular Formula

C25H20ClF3N2OS (C25 H20 ClF3 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H20ClF3N2OS/c26-21-10-3-1-6-18(21)16-33-23-15-31(22-11-4-2-9-20(22)23)13-12-30-24(32)17-7-5-8-19(14-17)25(27,28)29/h1-11,14-15H,12-13,16H2,(H,30,32)

InChI Key

LBQPAQXGDMJOLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.96

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

6.155

Distribution Coefficient, logD

6.155

Water Solubility, LogSw

-6.37

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

References: we are preparing a list of scientific research reports with C064-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0235?
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What is the minimum amount of C064-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0235
  • 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 C064-0235 available by request