D578-0172 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-methylbenzene-1-sulfonamide

D578-0172 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-methylbenzene-1-sulfonamide
D578-0172 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D578-0172
N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-methylbenzene-1-sulfonamide

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

D578-0172

Molecular Formula

C24H29N5O2S (C24 H29 N5 O2 S)

Compound Name

N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-methylbenzene-1-sulfonamide

IUPAC name

N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3-methylbenzene-1-sulfonamide

SMILES

Cc1cccc(S(Nc(cc2)ccc2Nc2nc(NC3CCCCC3)nc(C)c2)(=O)=O)c1

InChI

InChI=1S/C24H29N5O2S/c1-17-7-6-10-22(15-17)32(30,31)29-21-13-11-20(12-14-21)26-23-16-18(2)25-24(28-23)27-19-8-4-3-5-9-19/h6-7,10-16,19,29H,3-5,8-9H2,1-2H3,(H2,25,26,27,28)

InChI Key

DOQWYNHAIUZWJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

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

5.844

Distribution Coefficient, logD

5.595

Water Solubility, LogSw

-5.44

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

33.30

D578-0172 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D578-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D578-0172?
Check Price and Availability of D578-0172, 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 D578-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D578-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D578-0172
  • 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 D578-0172 available by request