D578-0302 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-4-methoxy-2,3-dimethylbenzene-1-sulfonamide

D578-0302 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-4-methoxy-2,3-dimethylbenzene-1-sulfonamide
D578-0302 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-4-methoxy-2,3-dimethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D578-0302
N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-4-methoxy-2,3-dimethylbenzene-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

D578-0302

Molecular Formula

C26H33N5O3S (C26 H33 N5 O3 S)

Compound Name

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

IUPAC name

N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-4-methoxy-23-dimethylbenzene-1-sulfonamide

SMILES

Cc1cc(Nc(cc2)ccc2NS(c(cc2)c(C)c(C)c2OC)(=O)=O)nc(NC2CCCCC2)n1

InChI

InChI=1S/C26H33N5O3S/c1-17-16-25(30-26(27-17)29-20-8-6-5-7-9-20)28-21-10-12-22(13-11-21)31-35(32,33)24-15-14-23(34-4)18(2)19(24)3/h10-16,20,31H,5-9H2,1-4H3,(H2,27,28,29,30)

InChI Key

GLFRVCPZWZFPOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.65

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.205

Distribution Coefficient, logD

5.963

Water Solubility, LogSw

-5.49

Polar Surface Area

87.470

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

D578-0302 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D578-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D578-0302?
Check Price and Availability of D578-0302, 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 D578-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D578-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D578-0302
  • 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 D578-0302 available by request