V002-4100 Screening compound: 3-(butan-2-yl)-N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide

V002-4100 Screening compound: 3-(butan-2-yl)-N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
V002-4100 Screening compound: 3-(butan-2-yl)-N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4100
3-(butan-2-yl)-N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-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

V002-4100

Molecular Formula

C25H30F2N4OS (C25 H30 F2 N4 OS)

Compound Name

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

IUPAC name

3-(butan-2-yl)-N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-2-oxo-148-triazaspiro[4.5]decane-8-carbothioamide

SMILES

CCC(C)C1NC(CC2)(CCN2C(Nc(cc2)ccc2F)=S)N(Cc(cc2)ccc2F)C1=O

InChI

InChI=1S/C25H30F2N4OS/c1-3-17(2)22-23(32)31(16-18-4-6-19(26)7-5-18)25(29-22)12-14-30(15-13-25)24(33)28-21-10-8-20(27)9-11-21/h4-11,17,22,29H,3,12-16H2,1-2H3,(H,28,33)

InChI Key

XPLRQGDPQRRFJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19816273

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

472.6

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

4.849

Distribution Coefficient, logD

4.623

Water Solubility, LogSw

-4.41

Polar Surface Area

39.464

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with V002-4100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4100?
Check Price and Availability of V002-4100, 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 V002-4100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4100
  • 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 V002-4100 available by request