C064-0309 Screening compound: 4-ethoxy-N-{2-[3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

C064-0309 Screening compound: 4-ethoxy-N-{2-[3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide
C064-0309 Screening compound: 4-ethoxy-N-{2-[3-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0309
4-ethoxy-N-{2-[3-({[(4-methylphenyl)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

C064-0309

Molecular Formula

C28H29N3O3S (C28 H29 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(NCCn1c(cccc2)c2c(SCC(Nc2ccc(C)cc2)=O)c1)=O

InChI

InChI=1S/C28H29N3O3S/c1-3-34-23-14-10-21(11-15-23)28(33)29-16-17-31-18-26(24-6-4-5-7-25(24)31)35-19-27(32)30-22-12-8-20(2)9-13-22/h4-15,18H,3,16-17,19H2,1-2H3,(H,29,33)(H,30,32)

InChI Key

RVELXNVKWJSZGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.62

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

4.883

Distribution Coefficient, logD

4.883

Water Solubility, LogSw

-4.45

Polar Surface Area

56.477

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C064-0309 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C064-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0309?
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What is the minimum amount of C064-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0309
  • 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 C064-0309 available by request