0KPI-0028 Screening compound: (adamantan-1-yl)methyl benzoate

0KPI-0028 Screening compound: (adamantan-1-yl)methyl benzoate
0KPI-0028 Screening compound: (adamantan-1-yl)methyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0KPI-0028
(adamantan-1-yl)methyl benzoate

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

0KPI-0028

Molecular Formula

C18H22O2 (C18 H22 O2)

Compound Name

(adamantan-1-yl)methyl benzoate

IUPAC name

(adamantan-1-yl)methyl benzoate

SMILES

O=C(c1ccccc1)OCC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C18H22O2/c19-17(16-4-2-1-3-5-16)20-12-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15H,6-12H2

InChI Key

NBYUHRBKFIGMSD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.373

Distribution Coefficient, logD

5.373

Water Solubility, LogSw

-5.91

Polar Surface Area

21.129

Acid Dissociation Constant (pKa)

25.53

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

References: we are preparing a list of scientific research reports with 0KPI-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0KPI-0028?
Check Price and Availability of 0KPI-0028, 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 0KPI-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0KPI-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0KPI-0028
  • 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 0KPI-0028 available by request