2699-0017 Screening compound: methyl 6-(benzylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

2699-0017 Screening compound: methyl 6-(benzylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
2699-0017 Screening compound: methyl 6-(benzylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2699-0017
methyl 6-(benzylsulfanyl)-4-(2-chlorophenyl)-5-cyano-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

2699-0017

Molecular Formula

C21H17ClN2O3S (C21 H17 ClN2 O3 S)

Compound Name

methyl 6-(benzylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

IUPAC name

methyl 6-(benzylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-oxo-1234-tetrahydropyridine-3-carboxylate

SMILES

COC(C(C(c(cccc1)c1Cl)C(C#N)=C(N1)SCc2ccccc2)C1=O)=O

InChI

InChI=1S/C21H17ClN2O3S/c1-27-21(26)18-17(14-9-5-6-10-16(14)22)15(11-23)20(24-19(18)25)28-12-13-7-3-2-4-8-13/h2-10,17-18H,12H2,1H3,(H,24,25)

InChI Key

ZTJSTFXBXYWDKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01540430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.656

Water Solubility, LogSw

-4.00

Polar Surface Area

62.146

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.00

2699-0017 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2699-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2699-0017?
Check Price and Availability of 2699-0017, 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 2699-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2699-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2699-0017
  • 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 2699-0017 available by request