C064-0140 Screening compound: 4-fluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

C064-0140 Screening compound: 4-fluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide
C064-0140 Screening compound: 4-fluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0140
4-fluoro-N-{2-[3-({[(4-fluorophenyl)carbamoyl]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

C064-0140

Molecular Formula

C25H21F2N3O2S (C25 H21 F2 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1cn(CCNC(c(cc2)ccc2F)=O)c2c1cccc2)Nc(cc1)ccc1F

InChI

InChI=1S/C25H21F2N3O2S/c26-18-7-5-17(6-8-18)25(32)28-13-14-30-15-23(21-3-1-2-4-22(21)30)33-16-24(31)29-20-11-9-19(27)10-12-20/h1-12,15H,13-14,16H2,(H,28,32)(H,29,31)

InChI Key

DZXWVVZVRCSWFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.149

Distribution Coefficient, logD

4.149

Water Solubility, LogSw

-4.19

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

12.00

C064-0140 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C064-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0140?
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What is the minimum amount of C064-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0140
  • 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 C064-0140 available by request