C064-0240 Screening compound: N-[2-(3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide

C064-0240 Screening compound: N-[2-(3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide
C064-0240 Screening compound: N-[2-(3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0240
N-[2-(3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)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

C064-0240

Molecular Formula

C27H25F3N2OS (C27 H25 F3 N2 OS)

Compound Name

N-[2-(3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide

IUPAC name

N-[2-(3-{[(25-dimethylphenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide

SMILES

Cc1cc(CSc2cn(CCNC(c3cc(C(F)(F)F)ccc3)=O)c3c2cccc3)c(C)cc1

InChI

InChI=1S/C27H25F3N2OS/c1-18-10-11-19(2)21(14-18)17-34-25-16-32(24-9-4-3-8-23(24)25)13-12-31-26(33)20-6-5-7-22(15-20)27(28,29)30/h3-11,14-16H,12-13,17H2,1-2H3,(H,31,33)

InChI Key

MUZGKYBMNZINGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.57

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

6.724

Distribution Coefficient, logD

6.724

Water Solubility, LogSw

-5.84

Polar Surface Area

26.204

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C064-0240 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C064-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0240?
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What is the minimum amount of C064-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0240
  • 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 C064-0240 available by request