C064-0350 Screening compound: N-[2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide

C064-0350 Screening compound: N-[2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide
C064-0350 Screening compound: N-[2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0350
N-[2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide

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

C064-0350

Molecular Formula

C24H19ClF2N2OS (C24 H19 ClF2 N2 OS)

Compound Name

N-[2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide

IUPAC name

N-[2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-26-difluorobenzamide

SMILES

O=C(c(c(F)ccc1)c1F)NCCn1c(cccc2)c2c(SCc(cc2)ccc2Cl)c1

InChI

InChI=1S/C24H19ClF2N2OS/c25-17-10-8-16(9-11-17)15-31-22-14-29(21-7-2-1-4-18(21)22)13-12-28-24(30)23-19(26)5-3-6-20(23)27/h1-11,14H,12-13,15H2,(H,28,30)

InChI Key

VBNHPZVCFFAPJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.94

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

5.177

Distribution Coefficient, logD

5.177

Water Solubility, LogSw

-5.95

Polar Surface Area

26.204

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C064-0350 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

MCL1 Targeted Library (12200 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 C064-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0350?
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What is the minimum amount of C064-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0350
  • 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 C064-0350 available by request