1189-0855 Screening compound: methyl 3-(4-methylphenyl)adamantane-1-carboxylate

1189-0855 Screening compound: methyl 3-(4-methylphenyl)adamantane-1-carboxylate
1189-0855 Screening compound: methyl 3-(4-methylphenyl)adamantane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-0855
methyl 3-(4-methylphenyl)adamantane-1-carboxylate

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

1189-0855

Molecular Formula

C19H24O2 (C19 H24 O2)

Compound Name

methyl 3-(4-methylphenyl)adamantane-1-carboxylate

IUPAC name

methyl 3-(4-methylphenyl)adamantane-1-carboxylate

SMILES

Cc1ccc(C(CC(C2)C3)(CC2C2)CC23C(OC)=O)cc1

InChI

InChI=1S/C19H24O2/c1-13-3-5-16(6-4-13)18-8-14-7-15(9-18)11-19(10-14,12-18)17(20)21-2/h3-6,14-15H,7-12H2,1-2H3

InChI Key

HTEDSIKOCHFGBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.590

Distribution Coefficient, logD

5.590

Water Solubility, LogSw

-5.59

Polar Surface Area

21.174

Acid Dissociation Constant (pKa)

22.64

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

1189-0855 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1189-0855 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1189-0855?
Check Price and Availability of 1189-0855, 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 1189-0855 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-0855
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-0855
  • 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 1189-0855 available by request