D490-0404 Screening compound: 4-[(1-hydroxybutan-2-yl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

D490-0404 Screening compound: 4-[(1-hydroxybutan-2-yl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
D490-0404 Screening compound: 4-[(1-hydroxybutan-2-yl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0404
4-[(1-hydroxybutan-2-yl)amino]-6-(4-methylphenyl)-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

D490-0404

Molecular Formula

C17H20N4OS (C17 H20 N4 OS)

Compound Name

4-[(1-hydroxybutan-2-yl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

IUPAC name

4-[(1-hydroxybutan-2-yl)amino]-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

SMILES

CCC(CO)Nc(nc(nc1-c2ccc(C)cc2)SC)c1C#N

InChI

InChI=1S/C17H20N4OS/c1-4-13(10-22)19-16-14(9-18)15(20-17(21-16)23-3)12-7-5-11(2)6-8-12/h5-8,13,22H,4,10H2,1-3H3,(H,19,20,21)/t13-/m0/s1

InChI Key

OFNJJWGJBBSQGS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD10090390

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.828

Distribution Coefficient, logD

3.828

Water Solubility, LogSw

-4.19

Polar Surface Area

63.256

Acid Dissociation Constant (pKa)

15.58

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D490-0404 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D490-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0404?
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What is the minimum amount of D490-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0404
  • 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 D490-0404 available by request