D490-0877 Screening compound: 4-({[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoic acid

D490-0877 Screening compound: 4-({[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoic acid
D490-0877 Screening compound: 4-({[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D490-0877
4-({[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoic acid

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

D490-0877

Molecular Formula

C19H12ClN3O3S (C19 H12 ClN3 O3 S)

Compound Name

4-({[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoic acid

IUPAC name

4-({[4-(4-chlorophenyl)-5-cyano-6-oxo-16-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoic acid

SMILES

N#CC(C(N1)=O)=C(c(cc2)ccc2Cl)N=C1SCc(cc1)ccc1C(O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

0.263

Water Solubility, LogSw

-4.14

Polar Surface Area

79.847

Acid Dissociation Constant (pKa)

4.07

Base Dissociation Constant (pKb)

1.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

D490-0877 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D490-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D490-0877?
Check Price and Availability of D490-0877, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D490-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D490-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D490-0877
  • 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 D490-0877 available by request