C064-0408 Screening compound: N-{2-[3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}thiophene-2-carboxamide

C064-0408 Screening compound: N-{2-[3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}thiophene-2-carboxamide
C064-0408 Screening compound: N-{2-[3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0408
N-{2-[3-({[3-(trifluoromethyl)phenyl]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

C064-0408

Molecular Formula

C23H19F3N2OS2 (C23 H19 F3 N2 OS2)

Compound Name

N-{2-[3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}thiophene-2-carboxamide

IUPAC name

N-{2-[3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}thiophene-2-carboxamide

SMILES

O=C(c1cccs1)NCCn1c(cccc2)c2c(SCc2cc(C(F)(F)F)ccc2)c1

InChI

InChI=1S/C23H19F3N2OS2/c24-23(25,26)17-6-3-5-16(13-17)15-31-21-14-28(19-8-2-1-7-18(19)21)11-10-27-22(29)20-9-4-12-30-20/h1-9,12-14H,10-11,15H2,(H,27,29)

InChI Key

NIZRNAHGVHJYQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.284

Distribution Coefficient, logD

5.284

Water Solubility, LogSw

-5.74

Polar Surface Area

27.222

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C064-0408 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C064-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0408?
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What is the minimum amount of C064-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0408
  • 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 C064-0408 available by request