D623-0015 Screening compound: 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetic acid

D623-0015 Screening compound: 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetic acid
D623-0015 Screening compound: 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D623-0015
2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetic 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

D623-0015

Molecular Formula

C13H8ClN3O3S (C13 H8 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

N#CC(C(N1)=O)=C(c(cc2)ccc2Cl)N=C1SCC(O)=O

InChI

InChI=1S/C13H8ClN3O3S/c14-8-3-1-7(2-4-8)11-9(5-15)12(20)17-13(16-11)21-6-10(18)19/h1-4H,6H2,(H,18,19)(H,16,17,20)

InChI Key

SDRMFLNGPQLLOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15142669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.510

Distribution Coefficient, logD

-2.043

Water Solubility, LogSw

-2.76

Polar Surface Area

80.094

Acid Dissociation Constant (pKa)

3.85

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

D623-0015 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D623-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D623-0015?
Check Price and Availability of D623-0015, 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 D623-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D623-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D623-0015
  • 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 D623-0015 available by request