D490-0091 Screening compound: 4-(4-tert-butylphenyl)-6-[(2-hydroxyethyl)(methyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile

D490-0091 Screening compound: 4-(4-tert-butylphenyl)-6-[(2-hydroxyethyl)(methyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile
D490-0091 Screening compound: 4-(4-tert-butylphenyl)-6-[(2-hydroxyethyl)(methyl)amino]-2-(methylsulfanyl)pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0091
4-(4-tert-butylphenyl)-6-[(2-hydroxyethyl)(methyl)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

D490-0091

Molecular Formula

C19H24N4OS (C19 H24 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1-c1nc(SC)nc(N(C)CCO)c1C#N

InChI

InChI=1S/C19H24N4OS/c1-19(2,3)14-8-6-13(7-9-14)16-15(12-20)17(23(4)10-11-24)22-18(21-16)25-5/h6-9,24H,10-11H2,1-5H3

InChI Key

JWDUYLUHNBBHMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12922384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.436

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-4.36

Polar Surface Area

54.880

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with D490-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0091?
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What is the minimum amount of D490-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0091
  • 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 D490-0091 available by request