D490-0877 Screening compound: 4-({[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}methyl)benzoic acid
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
InChI Key
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
- 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
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.
Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)