4296-0525 Screening compound: methyl 4-(2-chlorophenyl)-5-cyano-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

4296-0525 Screening compound: methyl 4-(2-chlorophenyl)-5-cyano-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
4296-0525 Screening compound: methyl 4-(2-chlorophenyl)-5-cyano-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0525
methyl 4-(2-chlorophenyl)-5-cyano-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

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

4296-0525

Molecular Formula

C23H20ClN3O4S (C23 H20 ClN3 O4 S)

Compound Name

methyl 4-(2-chlorophenyl)-5-cyano-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

IUPAC name

methyl 4-(2-chlorophenyl)-5-cyano-6-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-2-oxo-1234-tetrahydropyridine-3-carboxylate

SMILES

Cc(cccc1)c1NC(CSC(NC(C(C1c(cccc2)c2Cl)C(OC)=O)=O)=C1C#N)=O

InChI

InChI=1S/C23H20ClN3O4S/c1-13-7-3-6-10-17(13)26-18(28)12-32-22-15(11-25)19(14-8-4-5-9-16(14)24)20(21(29)27-22)23(30)31-2/h3-10,19-20H,12H2,1-2H3,(H,26,28)(H,27,29)

InChI Key

ZXYPIKRWPDZPSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03000476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.95

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.185

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.46

Polar Surface Area

84.598

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.70

4296-0525 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4296-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0525?
Check Price and Availability of 4296-0525, 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 4296-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0525
  • 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 4296-0525 available by request