2699-0414 Screening compound: 5-cyano-2-methyl-N-(2-methylphenyl)-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide

2699-0414 Screening compound: 5-cyano-2-methyl-N-(2-methylphenyl)-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
2699-0414 Screening compound: 5-cyano-2-methyl-N-(2-methylphenyl)-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2699-0414
5-cyano-2-methyl-N-(2-methylphenyl)-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-(thiophen-2-yl)-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

2699-0414

Molecular Formula

C28H25N3O2S2 (C28 H25 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(CSC(NC(C)=C(C1c2cccs2)C(Nc2c(C)cccc2)=O)=C1C#N)=O

InChI

InChI=1S/C28H25N3O2S2/c1-17-10-12-20(13-11-17)23(32)16-35-28-21(15-29)26(24-9-6-14-34-24)25(19(3)30-28)27(33)31-22-8-5-4-7-18(22)2/h4-14,26,30H,16H2,1-3H3,(H,31,33)/t26-/m0/s1

InChI Key

IJEAKCNVLXBUDT-SANMLTNESA-N

MDL Number (MFCD)

MFCD01306865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.164

Distribution Coefficient, logD

4.446

Water Solubility, LogSw

-4.98

Polar Surface Area

63.489

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

-5.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

2699-0414 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2699-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2699-0414?
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What is the minimum amount of 2699-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2699-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2699-0414
  • 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 2699-0414 available by request