D490-0346 Screening compound: 4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile

D490-0346 Screening compound: 4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile
D490-0346 Screening compound: 4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0346
4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]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

D490-0346

Molecular Formula

C15H13ClN4S (C15 H13 ClN4 S)

Compound Name

4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile

IUPAC name

4-(4-chlorophenyl)-2-(methylsulfanyl)-6-[(prop-2-en-1-yl)amino]pyrimidine-5-carbonitrile

SMILES

CSc(nc1-c(cc2)ccc2Cl)nc(NCC=C)c1C#N

InChI

InChI=1S/C15H13ClN4S/c1-3-8-18-14-12(9-17)13(19-15(20-14)21-2)10-4-6-11(16)7-5-10/h3-7H,1,8H2,2H3,(H,18,19,20)

InChI Key

VIRLGOANWPNOER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.81

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

4.031

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-4.82

Polar Surface Area

46.074

Acid Dissociation Constant (pKa)

15.36

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with D490-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0346?
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What is the minimum amount of D490-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0346
  • 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 D490-0346 available by request