8012-6266 Screening compound: 3,5-dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

8012-6266 Screening compound: 3,5-dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
8012-6266 Screening compound: 3,5-dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6266
3,5-dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(4-chlorophenyl)-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

8012-6266

Molecular Formula

C27H32ClNO4 (C27 H32 ClNO4)

Compound Name

3,5-dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(4-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

IUPAC name

35-dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(4-chlorophenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

COC(C(C1c(cc2)ccc2Cl)=CN(CCC2(CC(C3)C4)CC4CC3C2)C=C1C(OC)=O)=O

InChI

InChI=1S/C27H32ClNO4/c1-32-25(30)22-15-29(8-7-27-12-17-9-18(13-27)11-19(10-17)14-27)16-23(26(31)33-2)24(22)20-3-5-21(28)6-4-20/h3-6,15-19,24H,7-14H2,1-2H3

InChI Key

PPHJJTYBTUBNSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.956

Distribution Coefficient, logD

5.956

Water Solubility, LogSw

-6.59

Polar Surface Area

45.288

Acid Dissociation Constant (pKa)

25.83

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

8012-6266 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-6266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6266?
Check Price and Availability of 8012-6266, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8012-6266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6266
  • 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 8012-6266 available by request