D490-0368 Screening compound: 4-{[2-(dimethylamino)ethyl]amino}-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

D490-0368 Screening compound: 4-{[2-(dimethylamino)ethyl]amino}-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile
D490-0368 Screening compound: 4-{[2-(dimethylamino)ethyl]amino}-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0368
4-{[2-(dimethylamino)ethyl]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

D490-0368

Molecular Formula

C17H21N5S (C17 H21 N5 S)

Compound Name

4-{[2-(dimethylamino)ethyl]amino}-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

IUPAC name

4-{[2-(dimethylamino)ethyl]amino}-6-(4-methylphenyl)-2-(methylsulfanyl)pyrimidine-5-carbonitrile

SMILES

Cc(cc1)ccc1-c1nc(SC)nc(NCCN(C)C)c1C#N

InChI

InChI=1S/C17H21N5S/c1-12-5-7-13(8-6-12)15-14(11-18)16(19-9-10-22(2)3)21-17(20-15)23-4/h5-8H,9-10H2,1-4H3,(H,19,20,21)

InChI Key

UCUFHMAAJOSSHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.45

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

3.485

Distribution Coefficient, logD

2.497

Water Solubility, LogSw

-3.82

Polar Surface Area

49.940

Acid Dissociation Constant (pKa)

15.48

Base Dissociation Constant (pKb)

8.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D490-0368 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D490-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0368?
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What is the minimum amount of D490-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0368
  • 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 D490-0368 available by request