2699-0406 Screening compound: ethyl 2-{[4-(2-chlorophenyl)-3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetate

2699-0406 Screening compound: ethyl 2-{[4-(2-chlorophenyl)-3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetate
2699-0406 Screening compound: ethyl 2-{[4-(2-chlorophenyl)-3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2699-0406
ethyl 2-{[4-(2-chlorophenyl)-3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetate

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

2699-0406

Molecular Formula

C25H24ClN3O4S (C25 H24 ClN3 O4 S)

Compound Name

ethyl 2-{[4-(2-chlorophenyl)-3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[4-(2-chlorophenyl)-3-cyano-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-14-dihydropyridin-2-yl]sulfanyl}acetate

SMILES

CCOC(CSC(NC(C)=C(C1c(cccc2)c2Cl)C(Nc(cccc2)c2OC)=O)=C1C#N)=O

InChI

InChI=1S/C25H24ClN3O4S/c1-4-33-21(30)14-34-25-17(13-27)23(16-9-5-6-10-18(16)26)22(15(2)28-25)24(31)29-19-11-7-8-12-20(19)32-3/h5-12,23,28H,4,14H2,1-3H3,(H,29,31)/t23-/m1/s1

InChI Key

XGFYGEIZVFMSKG-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD01832454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.889

Distribution Coefficient, logD

4.302

Water Solubility, LogSw

-4.86

Polar Surface Area

77.285

Acid Dissociation Constant (pKa)

6.94

Base Dissociation Constant (pKb)

-4.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

2699-0406 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Glucocorticoid receptors Library (4806 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2699-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2699-0406?
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What is the minimum amount of 2699-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2699-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2699-0406
  • 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 2699-0406 available by request