V022-4697 Screening compound: 8-(cyclohexylcarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

V022-4697 Screening compound: 8-(cyclohexylcarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
V022-4697 Screening compound: 8-(cyclohexylcarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-4697
8-(cyclohexylcarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

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

V022-4697

Molecular Formula

C21H28N2O2S (C21 H28 N2 O2 S)

Compound Name

8-(cyclohexylcarbonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

IUPAC name

8-cyclohexanecarbonyl-4-(3-methylphenyl)-1-thia-48-diazaspiro[4.5]decan-3-one

SMILES

Cc1cccc(N(C(CC2)(CCN2C(C2CCCCC2)=O)SC2)C2=O)c1

InChI

InChI=1S/C21H28N2O2S/c1-16-6-5-9-18(14-16)23-19(24)15-26-21(23)10-12-22(13-11-21)20(25)17-7-3-2-4-8-17/h5-6,9,14,17H,2-4,7-8,10-13,15H2,1H3

InChI Key

JPQRCRYZDSVAJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19975111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.701

Distribution Coefficient, logD

3.701

Water Solubility, LogSw

-3.81

Polar Surface Area

32.760

Acid Dissociation Constant (pKa)

16.28

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

V022-4697 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 V022-4697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-4697?
Check Price and Availability of V022-4697, 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 V022-4697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-4697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-4697
  • 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 V022-4697 available by request