C064-0181 Screening compound: 2-fluoro-N-(2-{3-[(1-phenylethyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide

C064-0181 Screening compound: 2-fluoro-N-(2-{3-[(1-phenylethyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide
C064-0181 Screening compound: 2-fluoro-N-(2-{3-[(1-phenylethyl)sulfanyl]-1H-indol-1-yl}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0181
2-fluoro-N-(2-{3-[(1-phenylethyl)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

C064-0181

Molecular Formula

C25H23FN2OS (C25 H23 FN2 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(c1ccccc1)Sc1cn(CCNC(c(cccc2)c2F)=O)c2c1cccc2

InChI

InChI=1S/C25H23FN2OS/c1-18(19-9-3-2-4-10-19)30-24-17-28(23-14-8-6-12-21(23)24)16-15-27-25(29)20-11-5-7-13-22(20)26/h2-14,17-18H,15-16H2,1H3,(H,27,29)/t18-/m0/s1

InChI Key

NCTCSTJEJHNSHZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04454213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.53

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

5.675

Distribution Coefficient, logD

5.675

Water Solubility, LogSw

-5.63

Polar Surface Area

26.204

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

C064-0181 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C064-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0181?
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What is the minimum amount of C064-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0181
  • 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 C064-0181 available by request