V027-9901 Screening compound: 3-(butan-2-yl)-N-(2-fluorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,4,8-triazaspiro[4.5]decane-8-carbothioamide

V027-9901 Screening compound: 3-(butan-2-yl)-N-(2-fluorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
V027-9901 Screening compound: 3-(butan-2-yl)-N-(2-fluorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,4,8-triazaspiro[4.5]decane-8-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9901
3-(butan-2-yl)-N-(2-fluorophenyl)-2-oxo-1-(prop-2-en-1-yl)-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

V027-9901

Molecular Formula

C21H29FN4OS (C21 H29 FN4 OS)

Compound Name

3-(butan-2-yl)-N-(2-fluorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,4,8-triazaspiro[4.5]decane-8-carbothioamide

IUPAC name

3-(butan-2-yl)-N-(2-fluorophenyl)-2-oxo-1-(prop-2-en-1-yl)-148-triazaspiro[4.5]decane-8-carbothioamide

SMILES

CCC(C)C1NC(CC2)(CCN2C(Nc(cccc2)c2F)=S)N(CC=C)C1=O

InChI

InChI=1S/C21H29FN4OS/c1-4-12-26-19(27)18(15(3)5-2)24-21(26)10-13-25(14-11-21)20(28)23-17-9-7-6-8-16(17)22/h4,6-9,15,18,24H,1,5,10-14H2,2-3H3,(H,23,28)

InChI Key

XVEQQBCZEHFSMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19815540

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

404.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.798

Distribution Coefficient, logD

2.580

Water Solubility, LogSw

-3.92

Polar Surface Area

39.016

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

8.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.40

V027-9901 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 V027-9901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9901?
Check Price and Availability of V027-9901, 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 V027-9901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9901
  • 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 V027-9901 available by request