V002-4076 Screening compound: 3-(butan-2-yl)-N-cyclopropyl-1-ethyl-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide

V002-4076 Screening compound: 3-(butan-2-yl)-N-cyclopropyl-1-ethyl-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
V002-4076 Screening compound: 3-(butan-2-yl)-N-cyclopropyl-1-ethyl-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4076
3-(butan-2-yl)-N-cyclopropyl-1-ethyl-2-oxo-1,4,8-triazaspiro[4.5]decane-8-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

V002-4076

Molecular Formula

C17H30N4OS (C17 H30 N4 OS)

Compound Name

3-(butan-2-yl)-N-cyclopropyl-1-ethyl-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide

IUPAC name

3-(butan-2-yl)-N-cyclopropyl-1-ethyl-2-oxo-148-triazaspiro[4.5]decane-8-carbothioamide

SMILES

CCC(C)C1NC(CC2)(CCN2C(NC2CC2)=S)N(CC)C1=O

InChI

InChI=1S/C17H30N4OS/c1-4-12(3)14-15(22)21(5-2)17(19-14)8-10-20(11-9-17)16(23)18-13-6-7-13/h12-14,19H,4-11H2,1-3H3,(H,18,23)

InChI Key

JFHBIPYWLYEZMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19815284

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

338.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.277

Distribution Coefficient, logD

0.977

Water Solubility, LogSw

-2.33

Polar Surface Area

40.839

Acid Dissociation Constant (pKa)

16.19

Base Dissociation Constant (pKb)

8.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

88.20

V002-4076 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V002-4076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4076?
Check Price and Availability of V002-4076, 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 V002-4076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4076
  • 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 V002-4076 available by request