0283-1518 Screening compound: N~1~-cyclohexyltricyclo[4.3.1.1~3,8~]undecane-1-carbothioamide

0283-1518 Screening compound: N~1~-cyclohexyltricyclo[4.3.1.1~3,8~]undecane-1-carbothioamide
0283-1518 Screening compound: N~1~-cyclohexyltricyclo[4.3.1.1~3,8~]undecane-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0283-1518
N~1~-cyclohexyltricyclo[4.3.1.1~3,8~]undecane-1-carbothioamide

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

0283-1518

Molecular Formula

C18H29NS (C18 H29 NS)

Compound Name

N~1~-cyclohexyltricyclo[4.3.1.1~3,8~]undecane-1-carbothioamide

IUPAC name

N-cyclohexyltricyclo[4.3.1.1^{38}]undecane-1-carbothioamide

SMILES

S=C(C1(CC(C2)C3)CC3CCC2C1)NC1CCCCC1

InChI

InChI=1S/C18H29NS/c20-17(19-16-4-2-1-3-5-16)18-10-13-6-7-14(11-18)9-15(8-13)12-18/h13-16H,1-12H2,(H,19,20)

InChI Key

JQSUTUNRDAWLFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00984943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.900

Distribution Coefficient, logD

5.900

Water Solubility, LogSw

-5.82

Polar Surface Area

11.132

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

94.40

0283-1518 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 0283-1518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0283-1518?
Check Price and Availability of 0283-1518, 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 0283-1518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0283-1518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0283-1518
  • 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 0283-1518 available by request