1493-0199 Screening compound: 4-acetylphenyl adamantane-1-carboxylate

1493-0199 Screening compound: 4-acetylphenyl adamantane-1-carboxylate
1493-0199 Screening compound: 4-acetylphenyl adamantane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1493-0199
4-acetylphenyl 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

1493-0199

Molecular Formula

C19H22O3 (C19 H22 O3)

Compound Name

4-acetylphenyl adamantane-1-carboxylate

IUPAC name

4-acetylphenyl adamantane-1-carboxylate

SMILES

CC(c(cc1)ccc1OC(C1(CC(C2)C3)CC3CC2C1)=O)=O

InChI

InChI=1S/C19H22O3/c1-12(20)16-2-4-17(5-3-16)22-18(21)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3

InChI Key

VCKPBPPGPIIAPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.476

Distribution Coefficient, logD

4.476

Water Solubility, LogSw

-4.41

Polar Surface Area

34.476

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

1493-0199 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1493-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1493-0199?
Check Price and Availability of 1493-0199, 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 1493-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1493-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1493-0199
  • 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 1493-0199 available by request