7828-0498 Screening compound: 2-(adamantan-1-yl)-N-(quinolin-8-yl)acetamide

7828-0498 Screening compound: 2-(adamantan-1-yl)-N-(quinolin-8-yl)acetamide
7828-0498 Screening compound: 2-(adamantan-1-yl)-N-(quinolin-8-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7828-0498
2-(adamantan-1-yl)-N-(quinolin-8-yl)acetamide

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

7828-0498

Molecular Formula

C21H24N2O (C21 H24 N2 O)

Compound Name

2-(adamantan-1-yl)-N-(quinolin-8-yl)acetamide

IUPAC name

2-(adamantan-1-yl)-N-(quinolin-8-yl)acetamide

SMILES

O=C(CC1(CC(C2)C3)CC3CC2C1)Nc1cccc2cccnc12

InChI

InChI=1S/C21H24N2O/c24-19(23-18-5-1-3-17-4-2-6-22-20(17)18)13-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-6,14-16H,7-13H2,(H,23,24)

InChI Key

KVOVEJJVMSCSHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05809231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.762

Distribution Coefficient, logD

4.762

Water Solubility, LogSw

-4.97

Polar Surface Area

31.985

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

7828-0498 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7828-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7828-0498?
Check Price and Availability of 7828-0498, 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 7828-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7828-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7828-0498
  • 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 7828-0498 available by request