C064-0378 Screening compound: N-(2-{3-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-2,6-difluorobenzamide

C064-0378 Screening compound: N-(2-{3-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-2,6-difluorobenzamide
C064-0378 Screening compound: N-(2-{3-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0378
N-(2-{3-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-2,6-difluorobenzamide

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

C064-0378

Molecular Formula

C29H29F2N3O4S (C29 H29 F2 N3 O4 S)

Compound Name

N-(2-{3-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-2,6-difluorobenzamide

IUPAC name

N-(2-{3-[({[2-(34-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)-26-difluorobenzamide

SMILES

COc(ccc(CCNC(CSc1cn(CCNC(c(c(F)ccc2)c2F)=O)c2c1cccc2)=O)c1)c1OC

InChI

InChI=1S/C29H29F2N3O4S/c1-37-24-11-10-19(16-25(24)38-2)12-13-32-27(35)18-39-26-17-34(23-9-4-3-6-20(23)26)15-14-33-29(36)28-21(30)7-5-8-22(28)31/h3-11,16-17H,12-15,18H2,1-2H3,(H,32,35)(H,33,36)

InChI Key

LJRUTKJHIBXKHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.63

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

3.231

Distribution Coefficient, logD

3.231

Water Solubility, LogSw

-3.53

Polar Surface Area

65.778

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C064-0378 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C064-0378 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0378?
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What is the minimum amount of C064-0378 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0378
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0378
  • 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 C064-0378 available by request