D578-0171 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)benzenesulfonamide

D578-0171 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)benzenesulfonamide
D578-0171 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D578-0171
N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-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

D578-0171

Molecular Formula

C23H27N5O2S (C23 H27 N5 O2 S)

Compound Name

N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)benzenesulfonamide

IUPAC name

N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)benzenesulfonamide

SMILES

Cc1cc(Nc(cc2)ccc2NS(c2ccccc2)(=O)=O)nc(NC2CCCCC2)n1

InChI

InChI=1S/C23H27N5O2S/c1-17-16-22(27-23(24-17)26-18-8-4-2-5-9-18)25-19-12-14-20(15-13-19)28-31(29,30)21-10-6-3-7-11-21/h3,6-7,10-16,18,28H,2,4-5,8-9H2,1H3,(H2,24,25,26,27)

InChI Key

MOOCPGBZKMTWJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.57

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

5.330

Distribution Coefficient, logD

5.082

Water Solubility, LogSw

-5.27

Polar Surface Area

79.839

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

D578-0171 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ACE2 Library (3043 compounds)

Angiogenesis library (14822 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with D578-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D578-0171?
Check Price and Availability of D578-0171, 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 D578-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D578-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D578-0171
  • 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 D578-0171 available by request