8018-6132 Screening compound: 2,3-dimethyl 6-amino-5-cyano-1-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-2,3-dicarboxylate

8018-6132 Screening compound: 2,3-dimethyl 6-amino-5-cyano-1-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-2,3-dicarboxylate
8018-6132 Screening compound: 2,3-dimethyl 6-amino-5-cyano-1-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-2,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6132
2,3-dimethyl 6-amino-5-cyano-1-phenyl-4-(thiophen-2-yl)-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

8018-6132

Molecular Formula

C20H17N3O4S (C20 H17 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COC(C(C1c2cccs2)=C(C(OC)=O)N(c2ccccc2)C(N)=C1C#N)=O

InChI

InChI=1S/C20H17N3O4S/c1-26-19(24)16-15(14-9-6-10-28-14)13(11-21)18(22)23(17(16)20(25)27-2)12-7-4-3-5-8-12/h3-10,15H,22H2,1-2H3/t15-/m0/s1

InChI Key

UWZZFCBXGPSMNE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD07800859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.576

Distribution Coefficient, logD

2.576

Water Solubility, LogSw

-2.74

Polar Surface Area

82.803

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

8018-6132 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-6132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6132?
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What is the minimum amount of 8018-6132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6132
  • 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 8018-6132 available by request