D490-0331 Screening compound: 4-[bis(2-hydroxyethyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

D490-0331 Screening compound: 4-[bis(2-hydroxyethyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
D490-0331 Screening compound: 4-[bis(2-hydroxyethyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0331
4-[bis(2-hydroxyethyl)amino]-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

D490-0331

Molecular Formula

C16H17ClN4O2S (C16 H17 ClN4 O2 S)

Compound Name

4-[bis(2-hydroxyethyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

IUPAC name

4-[bis(2-hydroxyethyl)amino]-6-(4-chlorophenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

SMILES

CSc(nc1-c(cc2)ccc2Cl)nc(N(CCO)CCO)c1C#N

InChI

InChI=1S/C16H17ClN4O2S/c1-24-16-19-14(11-2-4-12(17)5-3-11)13(10-18)15(20-16)21(6-8-22)7-9-23/h2-5,22-23H,6-9H2,1H3

InChI Key

WFERCNWLTHKLEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.077

Distribution Coefficient, logD

3.077

Water Solubility, LogSw

-3.61

Polar Surface Area

71.574

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with D490-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0331?
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What is the minimum amount of D490-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0331
  • 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 D490-0331 available by request