C064-0142 Screening compound: N-{2-[3-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-fluorobenzamide

C064-0142 Screening compound: N-{2-[3-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-fluorobenzamide
C064-0142 Screening compound: N-{2-[3-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0142
N-{2-[3-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-fluorobenzamide

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

C064-0142

Molecular Formula

C27H26FN3O3S (C27 H26 FN3 O3 S)

Compound Name

N-{2-[3-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-fluorobenzamide

IUPAC name

N-{2-[3-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-fluorobenzamide

SMILES

CCOc(cc1)ccc1NC(CSc1cn(CCNC(c(cc2)ccc2F)=O)c2c1cccc2)=O

InChI

InChI=1S/C27H26FN3O3S/c1-2-34-22-13-11-21(12-14-22)30-26(32)18-35-25-17-31(24-6-4-3-5-23(24)25)16-15-29-27(33)19-7-9-20(28)10-8-19/h3-14,17H,2,15-16,18H2,1H3,(H,29,33)(H,30,32)

InChI Key

SATHFCFMKYRNFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.489

Distribution Coefficient, logD

4.489

Water Solubility, LogSw

-3.93

Polar Surface Area

56.477

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C064-0142 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C064-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0142?
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What is the minimum amount of C064-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0142
  • 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 C064-0142 available by request