C064-0435 Screening compound: N-(2-{3-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)thiophene-2-carboxamide

C064-0435 Screening compound: N-(2-{3-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)thiophene-2-carboxamide
C064-0435 Screening compound: N-(2-{3-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0435
N-(2-{3-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)thiophene-2-carboxamide

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

C064-0435

Molecular Formula

C27H29N3O4S2 (C27 H29 N3 O4 S2)

Compound Name

N-(2-{3-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)thiophene-2-carboxamide

IUPAC name

N-(2-{3-[({[2-(34-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)thiophene-2-carboxamide

SMILES

COc(ccc(CCNC(CSc1cn(CCNC(c2cccs2)=O)c2c1cccc2)=O)c1)c1OC

InChI

InChI=1S/C27H29N3O4S2/c1-33-22-10-9-19(16-23(22)34-2)11-12-28-26(31)18-36-25-17-30(21-7-4-3-6-20(21)25)14-13-29-27(32)24-8-5-15-35-24/h3-10,15-17H,11-14,18H2,1-2H3,(H,28,31)(H,29,32)

InChI Key

RCYBEAIUAIVKBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

523.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.899

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.23

Polar Surface Area

66.796

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C064-0435 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 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 C064-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0435?
Check Price and Availability of C064-0435, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C064-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0435
  • 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 C064-0435 available by request