1038-3588 Screening compound: 3,5,7-trimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide

1038-3588 Screening compound: 3,5,7-trimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide
1038-3588 Screening compound: 3,5,7-trimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1038-3588
3,5,7-trimethyl-N-(morpholine-4-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

1038-3588

Molecular Formula

C19H30N2O2S (C19 H30 N2 O2 S)

Compound Name

3,5,7-trimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide

IUPAC name

357-trimethyl-N-(morpholine-4-carbothioyl)adamantane-1-carboxamide

SMILES

CC(CC(C)(C1)C2)(CC1(C)C1)CC12C(NC(N1CCOCC1)=S)=O

InChI

InChI=1S/C19H30N2O2S/c1-16-8-17(2)10-18(3,9-16)13-19(11-16,12-17)14(22)20-15(24)21-4-6-23-7-5-21/h4-13H2,1-3H3,(H,20,22,24)

InChI Key

WTOMJIJRSMZRED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01791589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-3.88

Polar Surface Area

33.257

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

89.50

1038-3588 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 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 1038-3588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1038-3588?
Check Price and Availability of 1038-3588, 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 1038-3588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1038-3588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1038-3588
  • 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 1038-3588 available by request