4386-4175 Screening compound: 4-METHYL-2-{[(4-METHYLPHENYL)SULFONYL]AMINO}-N5-PHENYL-1

4386-4175 Screening compound: 4-METHYL-2-{[(4-METHYLPHENYL)SULFONYL]AMINO}-N5-PHENYL-1
4386-4175 Screening compound: 4-METHYL-2-{[(4-METHYLPHENYL)SULFONYL]AMINO}-N5-PHENYL-1 alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-4175
4-METHYL-2-{[(4-METHYLPHENYL)SULFONYL]AMINO}-N5-PHENYL-1

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

4386-4175

Molecular Formula

C18H17N3O3S2 (C18 H17 N3 O3 S2)

Compound Name

4-METHYL-2-{[(4-METHYLPHENYL)SULFONYL]AMINO}-N5-PHENYL-1

IUPAC name

n/a

SMILES

Cc1c(C(Nc2ccccc2)=O)sc(NS(c2ccc(C)cc2)(=O)=O)n1

InChI

InChI=1S/C18H17N3O3S2/c1-12-8-10-15(11-9-12)26(23,24)21-18-19-13(2)16(25-18)17(22)20-14-6-4-3-5-7-14/h3-11H,1-2H3,(H,19,21)(H,20,22)

InChI Key

PFAJWVQJQKFRMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02232272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

-0.123

Water Solubility, LogSw

-3.99

Polar Surface Area

74.602

Acid Dissociation Constant (pKa)

3.46

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.00

4386-4175 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4386-4175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-4175?
Check Price and Availability of 4386-4175, 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 4386-4175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-4175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-4175
  • 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 4386-4175 available by request