C064-0329 Screening compound: 4-ethoxy-N-{2-[3-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

C064-0329 Screening compound: 4-ethoxy-N-{2-[3-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide
C064-0329 Screening compound: 4-ethoxy-N-{2-[3-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0329
4-ethoxy-N-{2-[3-({[(5-methyl-1,2-oxazol-3-yl)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

C064-0329

Molecular Formula

C25H26N4O4S (C25 H26 N4 O4 S)

Compound Name

4-ethoxy-N-{2-[3-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

IUPAC name

4-ethoxy-N-{2-[3-({[(5-methyl-12-oxazol-3-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

SMILES

CCOc(cc1)ccc1C(NCCn1c(cccc2)c2c(SCC(Nc2noc(C)c2)=O)c1)=O

InChI

InChI=1S/C25H26N4O4S/c1-3-32-19-10-8-18(9-11-19)25(31)26-12-13-29-15-22(20-6-4-5-7-21(20)29)34-16-24(30)27-23-14-17(2)33-28-23/h4-11,14-15H,3,12-13,16H2,1-2H3,(H,26,31)(H,27,28,30)

InChI Key

JQHZNXWILPGELS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.834

Distribution Coefficient, logD

3.809

Water Solubility, LogSw

-3.78

Polar Surface Area

78.272

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

C064-0329 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 C064-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0329?
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What is the minimum amount of C064-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0329
  • 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 C064-0329 available by request