D360-2316 Screening compound: ethyl 5-cyano-6-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-2-phenyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxylate

D360-2316 Screening compound: ethyl 5-cyano-6-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-2-phenyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxylate
D360-2316 Screening compound: ethyl 5-cyano-6-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-2-phenyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D360-2316
ethyl 5-cyano-6-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-2-phenyl-1,4-dihydro-[4,4'-bipyridine]-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

D360-2316

Molecular Formula

C27H28N4O3S (C27 H28 N4 O3 S)

Compound Name

ethyl 5-cyano-6-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-2-phenyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxylate

IUPAC name

ethyl 5-cyano-6-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-2-phenyl-14-dihydro-[44'-bipyridine]-3-carboxylate

SMILES

CCOC(C(C1c2ccncc2)=C(c2ccccc2)NC(SCC(NC2CCCC2)=O)=C1C#N)=O

InChI

InChI=1S/C27H28N4O3S/c1-2-34-27(33)24-23(18-12-14-29-15-13-18)21(16-28)26(31-25(24)19-8-4-3-5-9-19)35-17-22(32)30-20-10-6-7-11-20/h3-5,8-9,12-15,20,23,31H,2,6-7,10-11,17H2,1H3,(H,30,32)/t23-/m0/s1

InChI Key

OGWULZGZYGXENN-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD10087595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

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

3.873

Distribution Coefficient, logD

-0.634

Water Solubility, LogSw

-3.83

Polar Surface Area

81.805

Acid Dissociation Constant (pKa)

2.89

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D360-2316 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 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 D360-2316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D360-2316?
Check Price and Availability of D360-2316, 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 D360-2316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D360-2316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D360-2316
  • 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 D360-2316 available by request