V029-0100 Screening compound: 3-benzyl-1-[2-(diethylamino)ethyl]-8-(2-fluorobenzoyl)-1,4,8-triazaspiro[4.5]decan-2-one

V029-0100 Screening compound: 3-benzyl-1-[2-(diethylamino)ethyl]-8-(2-fluorobenzoyl)-1,4,8-triazaspiro[4.5]decan-2-one
V029-0100 Screening compound: 3-benzyl-1-[2-(diethylamino)ethyl]-8-(2-fluorobenzoyl)-1,4,8-triazaspiro[4.5]decan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0100
3-benzyl-1-[2-(diethylamino)ethyl]-8-(2-fluorobenzoyl)-1,4,8-triazaspiro[4.5]decan-2-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

V029-0100

Molecular Formula

C27H35FN4O2 (C27 H35 FN4 O2)

Compound Name

3-benzyl-1-[2-(diethylamino)ethyl]-8-(2-fluorobenzoyl)-1,4,8-triazaspiro[4.5]decan-2-one

IUPAC name

3-benzyl-1-[2-(diethylamino)ethyl]-8-(2-fluorobenzoyl)-148-triazaspiro[4.5]decan-2-one

SMILES

CCN(CC)CCN(C(CC1)(CCN1C(c(cccc1)c1F)=O)NC1Cc2ccccc2)C1=O

InChI

InChI=1S/C27H35FN4O2/c1-3-30(4-2)18-19-32-26(34)24(20-21-10-6-5-7-11-21)29-27(32)14-16-31(17-15-27)25(33)22-12-8-9-13-23(22)28/h5-13,24,29H,3-4,14-20H2,1-2H3/t24-/m1/s1

InChI Key

FMINKRINNKQHDN-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19817030

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.078

Distribution Coefficient, logD

0.859

Water Solubility, LogSw

-3.47

Polar Surface Area

48.709

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.15

V029-0100 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V029-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0100?
Check Price and Availability of V029-0100, 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 V029-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0100
  • 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 V029-0100 available by request