0335-0872 Screening compound: N-(2,5-dichlorophenyl)adamantane-1-carboxamide

0335-0872 Screening compound: N-(2,5-dichlorophenyl)adamantane-1-carboxamide
0335-0872 Screening compound: N-(2,5-dichlorophenyl)adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0335-0872
N-(2,5-dichlorophenyl)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

0335-0872

Molecular Formula

C17H19Cl2NO (C17 H19 Cl2 NO)

Compound Name

N-(2,5-dichlorophenyl)adamantane-1-carboxamide

IUPAC name

N-(25-dichlorophenyl)adamantane-1-carboxamide

SMILES

O=C(C1(CC(C2)C3)CC3CC2C1)Nc(cc(cc1)Cl)c1Cl

InChI

InChI=1S/C17H19Cl2NO/c18-13-1-2-14(19)15(6-13)20-16(21)17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12H,3-5,7-9H2,(H,20,21)

InChI Key

KAIWDVPPKGHJEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.25

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

5.763

Distribution Coefficient, logD

5.635

Water Solubility, LogSw

-6.01

Polar Surface Area

22.665

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

0335-0872 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0335-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0335-0872?
Check Price and Availability of 0335-0872, 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 0335-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0335-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0335-0872
  • 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 0335-0872 available by request