V017-4505 Screening compound: 4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one

V017-4505 Screening compound: 4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
V017-4505 Screening compound: 4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4505
4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-[(4-fluorophenyl)methyl]pyrrolidin-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

V017-4505

Molecular Formula

C19H23FN2O4 (C19 H23 FN2 O4)

Compound Name

4-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one

IUPAC name

4-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one

SMILES

O=C(C(C1)CN(Cc(cc2)ccc2F)C1=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C19H23FN2O4/c20-16-3-1-14(2-4-16)12-22-13-15(11-17(22)23)18(24)21-7-5-19(6-8-21)25-9-10-26-19/h1-4,15H,5-13H2/t15-/m1/s1

InChI Key

GTJZOURNXDFAGR-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD19971795

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.534

Distribution Coefficient, logD

0.534

Water Solubility, LogSw

-1.56

Polar Surface Area

48.519

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

V017-4505 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V017-4505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4505?
Check Price and Availability of V017-4505, 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 V017-4505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4505
  • 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 V017-4505 available by request