C064-0168 Screening compound: 4-fluoro-N-[2-(3-{[(3-fluorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamide

C064-0168 Screening compound: 4-fluoro-N-[2-(3-{[(3-fluorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamide
C064-0168 Screening compound: 4-fluoro-N-[2-(3-{[(3-fluorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0168
4-fluoro-N-[2-(3-{[(3-fluorophenyl)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

C064-0168

Molecular Formula

C24H20F2N2OS (C24 H20 F2 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1F)NCCn1c(cccc2)c2c(SCc2cc(F)ccc2)c1

InChI

InChI=1S/C24H20F2N2OS/c25-19-10-8-18(9-11-19)24(29)27-12-13-28-15-23(21-6-1-2-7-22(21)28)30-16-17-4-3-5-20(26)14-17/h1-11,14-15H,12-13,16H2,(H,27,29)

InChI Key

FKYKMOYEABKLQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.844

Distribution Coefficient, logD

4.844

Water Solubility, LogSw

-4.93

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

12.50

C064-0168 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C064-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0168?
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What is the minimum amount of C064-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0168
  • 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 C064-0168 available by request