2699-0409 Screening compound: 4-(2-chlorophenyl)-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide

2699-0409 Screening compound: 4-(2-chlorophenyl)-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
2699-0409 Screening compound: 4-(2-chlorophenyl)-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2699-0409
4-(2-chlorophenyl)-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide

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

2699-0409

Molecular Formula

C29H23Cl2N3O3S (C29 H23 Cl2 N3 O3 S)

Compound Name

4-(2-chlorophenyl)-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide

IUPAC name

4-(2-chlorophenyl)-6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-14-dihydropyridine-3-carboxamide

SMILES

CC(NC(SCC(c(cc1)ccc1Cl)=O)=C(C1c(cccc2)c2Cl)C#N)=C1C(Nc(cccc1)c1OC)=O

InChI

InChI=1S/C29H23Cl2N3O3S/c1-17-26(28(36)34-23-9-5-6-10-25(23)37-2)27(20-7-3-4-8-22(20)31)21(15-32)29(33-17)38-16-24(35)18-11-13-19(30)14-12-18/h3-14,27,33H,16H2,1-2H3,(H,34,36)/t27-/m1/s1

InChI Key

WJTJNKDSTKOMBX-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD01932627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.400

Distribution Coefficient, logD

5.917

Water Solubility, LogSw

-6.11

Polar Surface Area

70.101

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-4.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.80

2699-0409 in Drug Discovery

Included in Screening Libraries

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 2699-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2699-0409?
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What is the minimum amount of 2699-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2699-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2699-0409
  • 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 2699-0409 available by request