C064-0311 Screening compound: 4-ethoxy-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

C064-0311 Screening compound: 4-ethoxy-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide
C064-0311 Screening compound: 4-ethoxy-N-{2-[3-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0311
4-ethoxy-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

C064-0311

Molecular Formula

C27H26FN3O3S (C27 H26 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(NCCn1c(cccc2)c2c(SCC(Nc(cc2)ccc2F)=O)c1)=O

InChI

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

InChI Key

WMPUOLPUBZIBPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454362

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

4.488

Water Solubility, LogSw

-3.93

Polar Surface Area

56.477

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C064-0311 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 C064-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0311?
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What is the minimum amount of C064-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0311
  • 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 C064-0311 available by request