0416-0050 Screening compound: 3-chloroadamantane-1-carbonitrile

0416-0050 Screening compound: 3-chloroadamantane-1-carbonitrile
0416-0050 Screening compound: 3-chloroadamantane-1-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0416-0050
3-chloroadamantane-1-carbonitrile

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

0416-0050

Molecular Formula

C11H14ClN (C11 H14 ClN)

Compound Name

3-chloroadamantane-1-carbonitrile

IUPAC name

3-chloroadamantane-1-carbonitrile

SMILES

N#CC(CC(C1)C2)(CC1C1)CC12Cl

InChI

InChI=1S/C11H14ClN/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13/h8-9H,1-6H2

InChI Key

WEGYYUWQZAELJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00222947

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

195.69

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.456

Distribution Coefficient, logD

3.456

Water Solubility, LogSw

-3.75

Polar Surface Area

17.328

Acid Dissociation Constant (pKa)

22.71

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

90.90

References: we are preparing a list of scientific research reports with 0416-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0416-0050?
Check Price and Availability of 0416-0050, 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 0416-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0416-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0416-0050
  • 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 0416-0050 available by request