8014-7432 Screening compound: 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 1-adamantanecarboxylate

8014-7432 Screening compound: 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 1-adamantanecarboxylate
8014-7432 Screening compound: 4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 1-adamantanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7432
4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 1-adamantanecarboxylate

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

8014-7432

Molecular Formula

C37H39NO4 (C37 H39 NO4)

Compound Name

4-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)-2-methoxyphenyl 1-adamantanecarboxylate

IUPAC name

4-{22-dimethyl-4-oxo-1H2H3H4H5H6H-benzo[a]phenanthridin-5-yl}-2-methoxyphenyl adamantane-1-carboxylate

SMILES

CC(C)(CC1=C2C(c(cc3)cc(OC)c3OC(C3(CC(C4)C5)CC5CC4C3)=O)Nc3c1c1ccccc1cc3)CC2=O

InChI

InChI=1S/C37H39NO4/c1-36(2)19-27-32-26-7-5-4-6-24(26)8-10-28(32)38-34(33(27)29(39)20-36)25-9-11-30(31(15-25)41-3)42-35(40)37-16-21-12-22(17-37)14-23(13-21)18-37/h4-11,15,21-23,34,38H,12-14,16-20H2,1-3H3/t21?,22?,23?,34-,37?/m0/s1

InChI Key

JBHCATPUYGJMIY-RVJHDCTLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.372

Distribution Coefficient, logD

8.372

Water Solubility, LogSw

-7.12

Polar Surface Area

53.060

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.95

8014-7432 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 8014-7432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7432?
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What is the minimum amount of 8014-7432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7432
  • 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 8014-7432 available by request