8013-4210 Screening compound: dimethyl 1-cyclopropyl-4-(5-ethyl-2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate

8013-4210 Screening compound: dimethyl 1-cyclopropyl-4-(5-ethyl-2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate
8013-4210 Screening compound: dimethyl 1-cyclopropyl-4-(5-ethyl-2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-4210
dimethyl 1-cyclopropyl-4-(5-ethyl-2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate

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

8013-4210

Molecular Formula

C18H21NO4S (C18 H21 NO4 S)

Compound Name

dimethyl 1-cyclopropyl-4-(5-ethyl-2-thienyl)-1,4-dihydro-3,5-pyridinedicarboxylate

IUPAC name

35-dimethyl 1-cyclopropyl-4-(5-ethylthiophen-2-yl)-14-dihydropyridine-35-dicarboxylate

SMILES

CCc1ccc(C2C(C(OC)=O)=CN(C3CC3)C=C2C(OC)=O)s1

InChI

InChI=1S/C18H21NO4S/c1-4-12-7-8-15(24-12)16-13(17(20)22-2)9-19(11-5-6-11)10-14(16)18(21)23-3/h7-11,16H,4-6H2,1-3H3

InChI Key

VJWRRMRWDXGURU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.278

Distribution Coefficient, logD

3.278

Water Solubility, LogSw

-3.32

Polar Surface Area

46.179

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

References: we are preparing a list of scientific research reports with 8013-4210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-4210?
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What is the minimum amount of 8013-4210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-4210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-4210
  • 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 8013-4210 available by request