D578-0203 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

D578-0203 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
D578-0203 Screening compound: N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D578-0203
N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3,5-dimethyl-1,2-oxazole-4-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

D578-0203

Molecular Formula

C22H28N6O3S (C22 H28 N6 O3 S)

Compound Name

N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

IUPAC name

N-(4-{[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]amino}phenyl)-35-dimethyl-12-oxazole-4-sulfonamide

SMILES

Cc1noc(C)c1S(Nc(cc1)ccc1Nc1nc(NC2CCCCC2)nc(C)c1)(=O)=O

InChI

InChI=1S/C22H28N6O3S/c1-14-13-20(26-22(23-14)25-17-7-5-4-6-8-17)24-18-9-11-19(12-10-18)28-32(29,30)21-15(2)27-31-16(21)3/h9-13,17,28H,4-8H2,1-3H3,(H2,23,24,25,26)

InChI Key

OIXUSRXXCKAFQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

4.144

Water Solubility, LogSw

-4.24

Polar Surface Area

101.877

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

7.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D578-0203 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D578-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D578-0203?
Check Price and Availability of D578-0203, 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 D578-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D578-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D578-0203
  • 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 D578-0203 available by request