C064-0222 Screening compound: 2-fluoro-N-{2-[3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

C064-0222 Screening compound: 2-fluoro-N-{2-[3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide
C064-0222 Screening compound: 2-fluoro-N-{2-[3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0222
2-fluoro-N-{2-[3-({[4-(trifluoromethyl)phenyl]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

C064-0222

Molecular Formula

C25H20F4N2OS (C25 H20 F4 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1F)NCCn1c(cccc2)c2c(SCc2ccc(C(F)(F)F)cc2)c1

InChI

InChI=1S/C25H20F4N2OS/c26-21-7-3-1-5-19(21)24(32)30-13-14-31-15-23(20-6-2-4-8-22(20)31)33-16-17-9-11-18(12-10-17)25(27,28)29/h1-12,15H,13-14,16H2,(H,30,32)

InChI Key

OMNGVMBVCNZWMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.51

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

5.569

Distribution Coefficient, logD

5.569

Water Solubility, LogSw

-5.91

Polar Surface Area

26.204

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C064-0222 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C064-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0222?
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What is the minimum amount of C064-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0222
  • 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 C064-0222 available by request