0508-2008 Screening compound: 3,5-dimethyl-N-(3-methylphenyl)adamantane-1-carboxamide

0508-2008 Screening compound: 3,5-dimethyl-N-(3-methylphenyl)adamantane-1-carboxamide
0508-2008 Screening compound: 3,5-dimethyl-N-(3-methylphenyl)adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0508-2008
3,5-dimethyl-N-(3-methylphenyl)adamantane-1-carboxamide

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

0508-2008

Molecular Formula

C20H27NO (C20 H27 NO)

Compound Name

3,5-dimethyl-N-(3-methylphenyl)adamantane-1-carboxamide

IUPAC name

35-dimethyl-N-(3-methylphenyl)adamantane-1-carboxamide

SMILES

CC(CC(C1)C2)(CC1(C)C1)CC12C(Nc1cc(C)ccc1)=O

InChI

InChI=1S/C20H27NO/c1-14-5-4-6-16(7-14)21-17(22)20-10-15-8-18(2,12-20)11-19(3,9-15)13-20/h4-7,15H,8-13H2,1-3H3,(H,21,22)

InChI Key

VZDCDRYGVZVZEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01837355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.44

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.295

Distribution Coefficient, logD

5.295

Water Solubility, LogSw

-5.38

Polar Surface Area

23.363

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

0508-2008 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0508-2008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0508-2008?
Check Price and Availability of 0508-2008, 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 0508-2008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0508-2008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0508-2008
  • 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 0508-2008 available by request