C064-0165 Screening compound: 4-fluoro-N-{2-[3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

C064-0165 Screening compound: 4-fluoro-N-{2-[3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide
C064-0165 Screening compound: 4-fluoro-N-{2-[3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0165
4-fluoro-N-{2-[3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}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

C064-0165

Molecular Formula

C25H20F4N2OS (C25 H20 F4 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1F)NCCn1c(cccc2)c2c(SCc2ccc(C(F)(F)F)cc2)c1

InChI

InChI=1S/C25H20F4N2OS/c26-20-11-7-18(8-12-20)24(32)30-13-14-31-15-23(21-3-1-2-4-22(21)31)33-16-17-5-9-19(10-6-17)25(27,28)29/h1-12,15H,13-14,16H2,(H,30,32)

InChI Key

NXDUMGOZGFNGDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.51

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

5.317

Distribution Coefficient, logD

5.317

Water Solubility, LogSw

-5.76

Polar Surface Area

26.204

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C064-0165 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 C064-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0165?
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What is the minimum amount of C064-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0165
  • 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 C064-0165 available by request