C064-0397 Screening compound: 2,6-difluoro-N-{2-[3-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

C064-0397 Screening compound: 2,6-difluoro-N-{2-[3-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide
C064-0397 Screening compound: 2,6-difluoro-N-{2-[3-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0397
2,6-difluoro-N-{2-[3-({[(2-fluorophenyl)carbamoyl]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

C064-0397

Molecular Formula

C25H20F3N3O2S (C25 H20 F3 N3 O2 S)

Compound Name

2,6-difluoro-N-{2-[3-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

IUPAC name

26-difluoro-N-{2-[3-({[(2-fluorophenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

SMILES

O=C(CSc1cn(CCNC(c(c(F)ccc2)c2F)=O)c2c1cccc2)Nc(cccc1)c1F

InChI

InChI=1S/C25H20F3N3O2S/c26-17-7-2-3-10-20(17)30-23(32)15-34-22-14-31(21-11-4-1-6-16(21)22)13-12-29-25(33)24-18(27)8-5-9-19(24)28/h1-11,14H,12-13,15H2,(H,29,33)(H,30,32)

InChI Key

FKVSNTHGVXNLGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.038

Distribution Coefficient, logD

4.038

Water Solubility, LogSw

-4.27

Polar Surface Area

48.655

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C064-0397 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C064-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0397?
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What is the minimum amount of C064-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0397
  • 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 C064-0397 available by request