4461-8290 Screening compound: 3,5,7-trimethyl-N-(pyrrolidine-1-carbothioyl)adamantane-1-carboxamide

4461-8290 Screening compound: 3,5,7-trimethyl-N-(pyrrolidine-1-carbothioyl)adamantane-1-carboxamide
4461-8290 Screening compound: 3,5,7-trimethyl-N-(pyrrolidine-1-carbothioyl)adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4461-8290
3,5,7-trimethyl-N-(pyrrolidine-1-carbothioyl)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

4461-8290

Molecular Formula

C19H30N2OS (C19 H30 N2 OS)

Compound Name

3,5,7-trimethyl-N-(pyrrolidine-1-carbothioyl)adamantane-1-carboxamide

IUPAC name

357-trimethyl-N-(pyrrolidine-1-carbothioyl)adamantane-1-carboxamide

SMILES

CC(CC(C)(C1)C2)(CC1(C)C1)CC12C(NC(N1CCCC1)=S)=O

InChI

InChI=1S/C19H30N2OS/c1-16-8-17(2)10-18(3,9-16)13-19(11-16,12-17)14(22)20-15(23)21-6-4-5-7-21/h4-13H2,1-3H3,(H,20,22,23)

InChI Key

PNAUOKZTAPZYKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01791586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.640

Distribution Coefficient, logD

4.640

Water Solubility, LogSw

-4.23

Polar Surface Area

25.715

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

-4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

89.50

4461-8290 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4461-8290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4461-8290?
Check Price and Availability of 4461-8290, 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 4461-8290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4461-8290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4461-8290
  • 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 4461-8290 available by request