6786-9506 Screening compound: 3,5-dimethyl 1-cyclohexyl-4-(3-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

6786-9506 Screening compound: 3,5-dimethyl 1-cyclohexyl-4-(3-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
6786-9506 Screening compound: 3,5-dimethyl 1-cyclohexyl-4-(3-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6786-9506
3,5-dimethyl 1-cyclohexyl-4-(3-methylphenyl)-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

6786-9506

Molecular Formula

C22H27NO4 (C22 H27 NO4)

Compound Name

3,5-dimethyl 1-cyclohexyl-4-(3-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 1-cyclohexyl-4-(3-methylphenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

Cc1cccc(C2C(C(OC)=O)=CN(C3CCCCC3)C=C2C(OC)=O)c1

InChI

InChI=1S/C22H27NO4/c1-15-8-7-9-16(12-15)20-18(21(24)26-2)13-23(14-19(20)22(25)27-3)17-10-5-4-6-11-17/h7-9,12-14,17,20H,4-6,10-11H2,1-3H3

InChI Key

NUIKYXDHMJGEKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03717092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.46

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

4.162

Distribution Coefficient, logD

4.162

Water Solubility, LogSw

-4.23

Polar Surface Area

44.830

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

6786-9506 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6786-9506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6786-9506?
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What is the minimum amount of 6786-9506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6786-9506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6786-9506
  • 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 6786-9506 available by request