8005-5201 Screening compound: 4-{[(4-chlorophenyl)sulfanyl]methyl}-N~1~-(3,4-dimethylphenyl)benzamide

8005-5201 Screening compound: 4-{[(4-chlorophenyl)sulfanyl]methyl}-N~1~-(3,4-dimethylphenyl)benzamide
8005-5201 Screening compound: 4-{[(4-chlorophenyl)sulfanyl]methyl}-N~1~-(3,4-dimethylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5201
4-{[(4-chlorophenyl)sulfanyl]methyl}-N~1~-(3,4-dimethylphenyl)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

8005-5201

Molecular Formula

C22H20ClNOS (C22 H20 ClNOS)

Compound Name

4-{[(4-chlorophenyl)sulfanyl]methyl}-N~1~-(3,4-dimethylphenyl)benzamide

IUPAC name

n/a

SMILES

Cc(cc1)c(C)cc1NC(c1ccc(CSc(cc2)ccc2Cl)cc1)=O

InChI

InChI=1S/C22H20ClNOS/c1-15-3-10-20(13-16(15)2)24-22(25)18-6-4-17(5-7-18)14-26-21-11-8-19(23)9-12-21/h3-13H,14H2,1-2H3,(H,24,25)

InChI Key

WGGKXAGVFWDPGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00494413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.245

Distribution Coefficient, logD

6.245

Water Solubility, LogSw

-6.24

Polar Surface Area

23.058

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

8005-5201 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8005-5201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5201?
Check Price and Availability of 8005-5201, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8005-5201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5201
  • 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 8005-5201 available by request