0111-0171 Screening compound: N-(carbamothioylamino)adamantane-1-carboxamide

0111-0171 Screening compound: N-(carbamothioylamino)adamantane-1-carboxamide
0111-0171 Screening compound: N-(carbamothioylamino)adamantane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0111-0171
N-(carbamothioylamino)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

0111-0171

Molecular Formula

C12H19N3OS (C12 H19 N3 OS)

Compound Name

N-(carbamothioylamino)adamantane-1-carboxamide

IUPAC name

N-(carbamothioylamino)adamantane-1-carboxamide

SMILES

NC(NNC(C1(CC(C2)C3)CC3CC2C1)=O)=S

InChI

InChI=1S/C12H19N3OS/c13-11(17)15-14-10(16)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H,14,16)(H3,13,15,17)

InChI Key

JVJZNULYJHOVPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01838136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

1.707

Water Solubility, LogSw

-2.44

Polar Surface Area

57.961

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

83.30

0111-0171 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 0111-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0111-0171?
Check Price and Availability of 0111-0171, 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 0111-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0111-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0111-0171
  • 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 0111-0171 available by request