8018-6131 Screening compound: 2,3-dimethyl 6-amino-4-(2H-1,3-benzodioxol-5-yl)-5-cyano-1-phenyl-1,4-dihydropyridine-2,3-dicarboxylate

8018-6131 Screening compound: 2,3-dimethyl 6-amino-4-(2H-1,3-benzodioxol-5-yl)-5-cyano-1-phenyl-1,4-dihydropyridine-2,3-dicarboxylate
8018-6131 Screening compound: 2,3-dimethyl 6-amino-4-(2H-1,3-benzodioxol-5-yl)-5-cyano-1-phenyl-1,4-dihydropyridine-2,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6131
2,3-dimethyl 6-amino-4-(2H-1,3-benzodioxol-5-yl)-5-cyano-1-phenyl-1,4-dihydropyridine-2,3-dicarboxylate

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

8018-6131

Molecular Formula

C23H19N3O6 (C23 H19 N3 O6)

Compound Name

2,3-dimethyl 6-amino-4-(2H-1,3-benzodioxol-5-yl)-5-cyano-1-phenyl-1,4-dihydropyridine-2,3-dicarboxylate

IUPAC name

23-dimethyl 6-amino-4-(2H-13-benzodioxol-5-yl)-5-cyano-1-phenyl-14-dihydropyridine-23-dicarboxylate

SMILES

COC(C(C1c(cc2)cc3c2OCO3)=C(C(OC)=O)N(c2ccccc2)C(N)=C1C#N)=O

InChI

InChI=1S/C23H19N3O6/c1-29-22(27)19-18(13-8-9-16-17(10-13)32-12-31-16)15(11-24)21(25)26(20(19)23(28)30-2)14-6-4-3-5-7-14/h3-10,18H,12,25H2,1-2H3/t18-/m0/s1

InChI Key

HRCCURXJDCNVMW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07800858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.824

Distribution Coefficient, logD

2.824

Water Solubility, LogSw

-3.32

Polar Surface Area

98.900

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

8018-6131 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 8018-6131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6131?
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What is the minimum amount of 8018-6131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6131
  • 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 8018-6131 available by request