8018-3457 Screening compound: (adamantan-1-yl)methyl 4-cyclopropaneamidobenzoate

8018-3457 Screening compound: (adamantan-1-yl)methyl 4-cyclopropaneamidobenzoate
8018-3457 Screening compound: (adamantan-1-yl)methyl 4-cyclopropaneamidobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3457
(adamantan-1-yl)methyl 4-cyclopropaneamidobenzoate

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

8018-3457

Molecular Formula

C22H27NO3 (C22 H27 NO3)

Compound Name

(adamantan-1-yl)methyl 4-cyclopropaneamidobenzoate

IUPAC name

(adamantan-1-yl)methyl 4-cyclopropaneamidobenzoate

SMILES

O=C(C1CC1)Nc(cc1)ccc1C(OCC1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C22H27NO3/c24-20(17-1-2-17)23-19-5-3-18(4-6-19)21(25)26-13-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-17H,1-2,7-13H2,(H,23,24)

InChI Key

DEXZAJWVYMABDZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.492

Distribution Coefficient, logD

5.492

Water Solubility, LogSw

-5.97

Polar Surface Area

44.744

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

-0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

8018-3457 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-3457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3457?
Check Price and Availability of 8018-3457, 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 8018-3457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3457
  • 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 8018-3457 available by request