D490-0823 Screening compound: 4-(3-methoxy-4-propoxyphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile

D490-0823 Screening compound: 4-(3-methoxy-4-propoxyphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile
D490-0823 Screening compound: 4-(3-methoxy-4-propoxyphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0823
4-(3-methoxy-4-propoxyphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-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

D490-0823

Molecular Formula

C15H15N3O3S (C15 H15 N3 O3 S)

Compound Name

4-(3-methoxy-4-propoxyphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile

IUPAC name

4-(3-methoxy-4-propoxyphenyl)-6-oxo-2-sulfanyl-16-dihydropyrimidine-5-carbonitrile

SMILES

CCCOc(ccc(C(N=C(NC1=O)S)=C1C#N)c1)c1OC

InChI

InChI=1S/C15H15N3O3S/c1-3-6-21-11-5-4-9(7-12(11)20-2)13-10(8-16)14(19)18-15(22)17-13/h4-5,7H,3,6H2,1-2H3,(H2,17,18,19,22)

InChI Key

ZGRRXRIBTKFGHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.036

Distribution Coefficient, logD

-1.263

Water Solubility, LogSw

-2.86

Polar Surface Area

66.805

Acid Dissociation Constant (pKa)

4.10

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D490-0823 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D490-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0823?
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What is the minimum amount of D490-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0823
  • 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 D490-0823 available by request