8012-1327 Screening compound: 3,5-dimethyl 4-(2-chlorophenyl)-1-cyclopropyl-1,4-dihydropyridine-3,5-dicarboxylate

8012-1327 Screening compound: 3,5-dimethyl 4-(2-chlorophenyl)-1-cyclopropyl-1,4-dihydropyridine-3,5-dicarboxylate
8012-1327 Screening compound: 3,5-dimethyl 4-(2-chlorophenyl)-1-cyclopropyl-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-1327
3,5-dimethyl 4-(2-chlorophenyl)-1-cyclopropyl-1,4-dihydropyridine-3,5-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

8012-1327

Molecular Formula

C18H18ClNO4 (C18 H18 ClNO4)

Compound Name

3,5-dimethyl 4-(2-chlorophenyl)-1-cyclopropyl-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 4-(2-chlorophenyl)-1-cyclopropyl-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c(cccc2)c2Cl)=CN(C2CC2)C=C1C(OC)=O)=O

InChI

InChI=1S/C18H18ClNO4/c1-23-17(21)13-9-20(11-7-8-11)10-14(18(22)24-2)16(13)12-5-3-4-6-15(12)19/h3-6,9-11,16H,7-8H2,1-2H3

InChI Key

YBWJBAWGQYZYCR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

3.220

Water Solubility, LogSw

-3.38

Polar Surface Area

45.161

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8012-1327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-1327?
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What is the minimum amount of 8012-1327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-1327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-1327
  • 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 8012-1327 available by request