D490-0243 Screening compound: 4-(4-tert-butylphenyl)-6-[(4-chlorophenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile

D490-0243 Screening compound: 4-(4-tert-butylphenyl)-6-[(4-chlorophenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
D490-0243 Screening compound: 4-(4-tert-butylphenyl)-6-[(4-chlorophenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0243
4-(4-tert-butylphenyl)-6-[(4-chlorophenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile

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

D490-0243

Molecular Formula

C22H21ClN4S (C22 H21 ClN4 S)

Compound Name

4-(4-tert-butylphenyl)-6-[(4-chlorophenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile

IUPAC name

4-(4-tert-butylphenyl)-6-[(4-chlorophenyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile

SMILES

CC(C)(C)c(cc1)ccc1-c(nc(nc1Nc(cc2)ccc2Cl)SC)c1C#N

InChI

InChI=1S/C22H21ClN4S/c1-22(2,3)15-7-5-14(6-8-15)19-18(13-24)20(27-21(26-19)28-4)25-17-11-9-16(23)10-12-17/h5-12H,1-4H3,(H,25,26,27)

InChI Key

BCZHNHUSVXBQGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12922397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.122

Distribution Coefficient, logD

7.122

Water Solubility, LogSw

-7.00

Polar Surface Area

44.639

Acid Dissociation Constant (pKa)

14.56

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with D490-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0243?
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What is the minimum amount of D490-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0243
  • 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 D490-0243 available by request