D578-0138 Screening compound: N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzenesulfonamide

D578-0138 Screening compound: N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzenesulfonamide
D578-0138 Screening compound: N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D578-0138
N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzenesulfonamide

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

D578-0138

Molecular Formula

C24H23N5O2S (C24 H23 N5 O2 S)

Compound Name

N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzenesulfonamide

IUPAC name

N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzenesulfonamide

SMILES

Cc(cc1)ccc1Nc1nc(C)cc(Nc(cc2)ccc2NS(c2ccccc2)(=O)=O)n1

InChI

InChI=1S/C24H23N5O2S/c1-17-8-10-20(11-9-17)27-24-25-18(2)16-23(28-24)26-19-12-14-21(15-13-19)29-32(30,31)22-6-4-3-5-7-22/h3-16,29H,1-2H3,(H2,25,26,27,28)

InChI Key

UXZGSRCIGRFELS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.698

Distribution Coefficient, logD

4.848

Water Solubility, LogSw

-5.55

Polar Surface Area

78.792

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D578-0138 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D578-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D578-0138?
Check Price and Availability of D578-0138, 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 D578-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D578-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D578-0138
  • 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 D578-0138 available by request