0KPI-0079 Screening compound: 4-(adamantan-1-yl)-5-methyl-2,3-dihydro-1H-imidazole-2-thione

0KPI-0079 Screening compound: 4-(adamantan-1-yl)-5-methyl-2,3-dihydro-1H-imidazole-2-thione
0KPI-0079 Screening compound: 4-(adamantan-1-yl)-5-methyl-2,3-dihydro-1H-imidazole-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0KPI-0079
4-(adamantan-1-yl)-5-methyl-2,3-dihydro-1H-imidazole-2-thione

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

0KPI-0079

Molecular Formula

C14H20N2S (C14 H20 N2 S)

Compound Name

4-(adamantan-1-yl)-5-methyl-2,3-dihydro-1H-imidazole-2-thione

IUPAC name

4-(adamantan-1-yl)-5-methyl-23-dihydro-1H-imidazole-2-thione

SMILES

CC(N1)=C(C2(CC(C3)C4)CC4CC3C2)NC1=S

InChI

InChI=1S/C14H20N2S/c1-8-12(16-13(17)15-8)14-5-9-2-10(6-14)4-11(3-9)7-14/h9-11H,2-7H2,1H3,(H2,15,16,17)

InChI Key

JBTOPOAPBJMCRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.779

Distribution Coefficient, logD

2.759

Water Solubility, LogSw

-4.06

Polar Surface Area

22.242

Acid Dissociation Constant (pKa)

6.42

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

78.60

0KPI-0079 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0KPI-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0KPI-0079?
Check Price and Availability of 0KPI-0079, 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 0KPI-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0KPI-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0KPI-0079
  • 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 0KPI-0079 available by request