V031-0069 Screening compound: 4-(4-chlorophenyl)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

V031-0069 Screening compound: 4-(4-chlorophenyl)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
V031-0069 Screening compound: 4-(4-chlorophenyl)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-0069
4-(4-chlorophenyl)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1-thia-4,8-diazaspiro[4.5]decane-8-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

V031-0069

Molecular Formula

C21H19ClF3N3O2S (C21 H19 ClF3 N3 O2 S)

Compound Name

4-(4-chlorophenyl)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

IUPAC name

4-(4-chlorophenyl)-3-oxo-N-[4-(trifluoromethyl)phenyl]-1-thia-48-diazaspiro[4.5]decane-8-carboxamide

SMILES

O=C(Nc1ccc(C(F)(F)F)cc1)N(CC1)CCC1(N1c(cc2)ccc2Cl)SCC1=O

InChI

InChI=1S/C21H19ClF3N3O2S/c22-15-3-7-17(8-4-15)28-18(29)13-31-20(28)9-11-27(12-10-20)19(30)26-16-5-1-14(2-6-16)21(23,24)25/h1-8H,9-13H2,(H,26,30)

InChI Key

FFMRQHIWAZRGDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19975241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.406

Distribution Coefficient, logD

4.406

Water Solubility, LogSw

-4.67

Polar Surface Area

41.389

Acid Dissociation Constant (pKa)

13.90

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V031-0069 in Drug Discovery

Included in Screening Libraries

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

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 V031-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-0069?
Check Price and Availability of V031-0069, 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 V031-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-0069
  • 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 V031-0069 available by request