C064-0370 Screening compound: N-{2-[3-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-2,6-difluorobenzamide

C064-0370 Screening compound: N-{2-[3-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-2,6-difluorobenzamide
C064-0370 Screening compound: N-{2-[3-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0370
N-{2-[3-({[(4-ethoxyphenyl)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

C064-0370

Molecular Formula

C27H25F2N3O3S (C27 H25 F2 N3 O3 S)

Compound Name

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

IUPAC name

N-{2-[3-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}-26-difluorobenzamide

SMILES

CCOc(cc1)ccc1NC(CSc1cn(CCNC(c(c(F)ccc2)c2F)=O)c2c1cccc2)=O

InChI

InChI=1S/C27H25F2N3O3S/c1-2-35-19-12-10-18(11-13-19)31-25(33)17-36-24-16-32(23-9-4-3-6-20(23)24)15-14-30-27(34)26-21(28)7-5-8-22(26)29/h3-13,16H,2,14-15,17H2,1H3,(H,30,34)(H,31,33)

InChI Key

HBJTVJPTWKGIHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.58

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

4.627

Distribution Coefficient, logD

4.627

Water Solubility, LogSw

-4.18

Polar Surface Area

56.477

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C064-0370 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C064-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0370?
Check Price and Availability of C064-0370, 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 C064-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0370
  • 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 C064-0370 available by request