0111-0082 Screening compound: 1-(adamantan-1-yl)ethyl acetate

0111-0082 Screening compound: 1-(adamantan-1-yl)ethyl acetate
0111-0082 Screening compound: 1-(adamantan-1-yl)ethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0111-0082
1-(adamantan-1-yl)ethyl acetate

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

0111-0082

Molecular Formula

C14H22O2 (C14 H22 O2)

Compound Name

1-(adamantan-1-yl)ethyl acetate

IUPAC name

1-(adamantan-1-yl)ethyl acetate

SMILES

CC(C1(CC(C2)C3)CC3CC2C1)OC(C)=O

InChI

InChI=1S/C14H22O2/c1-9(16-10(2)15)14-6-11-3-12(7-14)5-13(4-11)8-14/h9,11-13H,3-8H2,1-2H3/t9-,11?,12?,13?,14?/m0/s1

InChI Key

PANQIDWXXPHBNS-KPOGDXOBSA-N

MDL Number (MFCD)

MFCD01838123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.33

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

3.565

Distribution Coefficient, logD

3.565

Water Solubility, LogSw

-3.59

Polar Surface Area

20.793

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

92.90

0111-0082 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0111-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0111-0082?
Check Price and Availability of 0111-0082, 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 0111-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0111-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0111-0082
  • 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 0111-0082 available by request