D623-0001 Screening compound: 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoic acid

D623-0001 Screening compound: 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoic acid
D623-0001 Screening compound: 2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D623-0001
2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}propanoic 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

D623-0001

Molecular Formula

C14H10ClN3O3S (C14 H10 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(O)=O)SC(NC1=O)=NC(c(cc2)ccc2Cl)=C1C#N

InChI

InChI=1S/C14H10ClN3O3S/c1-7(13(20)21)22-14-17-11(10(6-16)12(19)18-14)8-2-4-9(15)5-3-8/h2-5,7H,1H3,(H,20,21)(H,17,18,19)/t7-/m0/s1

InChI Key

FGDVFACPAXCSFV-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD07754032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.77

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

2.108

Distribution Coefficient, logD

-0.998

Water Solubility, LogSw

-3.13

Polar Surface Area

80.118

Acid Dissociation Constant (pKa)

4.29

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

D623-0001 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D623-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D623-0001?
Check Price and Availability of D623-0001, 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 D623-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D623-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D623-0001
  • 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 D623-0001 available by request