C064-0328 Screening compound: 4-ethoxy-N-{2-[3-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

C064-0328 Screening compound: 4-ethoxy-N-{2-[3-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide
C064-0328 Screening compound: 4-ethoxy-N-{2-[3-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0328
4-ethoxy-N-{2-[3-({[(5-methyl-1,3,4-thiadiazol-2-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

C064-0328

Molecular Formula

C24H25N5O3S2 (C24 H25 N5 O3 S2)

Compound Name

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

IUPAC name

4-ethoxy-N-{2-[3-({[(5-methyl-134-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

SMILES

CCOc(cc1)ccc1C(NCCn1c(cccc2)c2c(SCC(Nc2nnc(C)s2)=O)c1)=O

InChI

InChI=1S/C24H25N5O3S2/c1-3-32-18-10-8-17(9-11-18)23(31)25-12-13-29-14-21(19-6-4-5-7-20(19)29)33-15-22(30)26-24-28-27-16(2)34-24/h4-11,14H,3,12-13,15H2,1-2H3,(H,25,31)(H,26,28,30)

InChI Key

IVPMTMJATILVIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.63

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

3.287

Distribution Coefficient, logD

3.220

Water Solubility, LogSw

-3.19

Polar Surface Area

79.828

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C064-0328 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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 C064-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0328?
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What is the minimum amount of C064-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0328
  • 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 C064-0328 available by request