C064-0310 Screening compound: 4-ethoxy-N-(2-{3-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide

C064-0310 Screening compound: 4-ethoxy-N-(2-{3-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide
C064-0310 Screening compound: 4-ethoxy-N-(2-{3-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0310
4-ethoxy-N-(2-{3-[({[2-(trifluoromethyl)phenyl]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

C064-0310

Molecular Formula

C28H26F3N3O3S (C28 H26 F3 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(NCCn1c(cccc2)c2c(SCC(Nc2c(C(F)(F)F)cccc2)=O)c1)=O

InChI

InChI=1S/C28H26F3N3O3S/c1-2-37-20-13-11-19(12-14-20)27(36)32-15-16-34-17-25(21-7-3-6-10-24(21)34)38-18-26(35)33-23-9-5-4-8-22(23)28(29,30)31/h3-14,17H,2,15-16,18H2,1H3,(H,32,36)(H,33,35)

InChI Key

GGTWAXYJTWZHCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.975

Distribution Coefficient, logD

4.975

Water Solubility, LogSw

-4.47

Polar Surface Area

55.779

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C064-0310 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 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 C064-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0310?
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What is the minimum amount of C064-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0310
  • 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 C064-0310 available by request