D490-0334 Screening compound: 4-(tert-butylamino)-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

D490-0334 Screening compound: 4-(tert-butylamino)-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
D490-0334 Screening compound: 4-(tert-butylamino)-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0334
4-(tert-butylamino)-6-(4-chlorophenyl)-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

D490-0334

Molecular Formula

C16H17ClN4S (C16 H17 ClN4 S)

Compound Name

4-(tert-butylamino)-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

IUPAC name

4-(tert-butylamino)-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

SMILES

CC(C)(C)Nc(nc(nc1-c(cc2)ccc2Cl)SC)c1C#N

InChI

InChI=1S/C16H17ClN4S/c1-16(2,3)21-14-12(9-18)13(19-15(20-14)22-4)10-5-7-11(17)8-6-10/h5-8H,1-4H3,(H,19,20,21)

InChI Key

UTYUAIYPUYWOLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.867

Distribution Coefficient, logD

4.867

Water Solubility, LogSw

-5.27

Polar Surface Area

45.056

Acid Dissociation Constant (pKa)

16.75

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with D490-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0334?
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What is the minimum amount of D490-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0334
  • 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 D490-0334 available by request