C064-0199 Screening compound: N-{2-[3-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-2-fluorobenzamide

C064-0199 Screening compound: N-{2-[3-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-2-fluorobenzamide
C064-0199 Screening compound: N-{2-[3-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0199
N-{2-[3-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-2-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

C064-0199

Molecular Formula

C27H26FN3O3S (C27 H26 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CSc1cn(CCNC(c(cccc2)c2F)=O)c2c1cccc2)=O

InChI

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

InChI Key

ICNJSJVTDVPKGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454225

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

4.740

Distribution Coefficient, logD

4.740

Water Solubility, LogSw

-4.40

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

C064-0199 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C064-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0199?
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What is the minimum amount of C064-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0199
  • 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 C064-0199 available by request