V029-0683 Screening compound: N-(3-chlorophenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide

V029-0683 Screening compound: N-(3-chlorophenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
V029-0683 Screening compound: N-(3-chlorophenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0683
N-(3-chlorophenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-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

V029-0683

Molecular Formula

C22H22ClF3N4OS (C22 H22 ClF3 N4 OS)

Compound Name

N-(3-chlorophenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,4,8-triazaspiro[4.5]decane-8-carbothioamide

IUPAC name

N-(3-chlorophenyl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-148-triazaspiro[4.5]decane-8-carbothioamide

SMILES

O=C1N(Cc2cc(C(F)(F)F)ccc2)C(CC2)(CCN2C(Nc2cccc(Cl)c2)=S)NC1

InChI

InChI=1S/C22H22ClF3N4OS/c23-17-5-2-6-18(12-17)28-20(32)29-9-7-21(8-10-29)27-13-19(31)30(21)14-15-3-1-4-16(11-15)22(24,25)26/h1-6,11-12,27H,7-10,13-14H2,(H,28,32)

InChI Key

NEDNPOSLMBIFGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19814353

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

482.96

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

4.668

Distribution Coefficient, logD

4.227

Water Solubility, LogSw

-4.81

Polar Surface Area

39.084

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

7.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

V029-0683 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V029-0683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0683?
Check Price and Availability of V029-0683, 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 V029-0683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0683
  • 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 V029-0683 available by request