V029-5449 Screening compound: 3-[(4-benzylpiperidino)carbonyl]-1-(4-bromophenyl)-2-pyrrolidinone

V029-5449 Screening compound: 3-[(4-benzylpiperidino)carbonyl]-1-(4-bromophenyl)-2-pyrrolidinone
V029-5449 Screening compound: 3-[(4-benzylpiperidino)carbonyl]-1-(4-bromophenyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-5449
3-[(4-benzylpiperidino)carbonyl]-1-(4-bromophenyl)-2-pyrrolidinone

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

V029-5449

Molecular Formula

C23H25BrN2O2 (C23 H25 BrN2 O2)

Compound Name

3-[(4-benzylpiperidino)carbonyl]-1-(4-bromophenyl)-2-pyrrolidinone

IUPAC name

3-(4-benzylpiperidine-1-carbonyl)-1-(4-bromophenyl)pyrrolidin-2-one

SMILES

O=C(C(CCN1c(cc2)ccc2Br)C1=O)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C23H25BrN2O2/c24-19-6-8-20(9-7-19)26-15-12-21(23(26)28)22(27)25-13-10-18(11-14-25)16-17-4-2-1-3-5-17/h1-9,18,21H,10-16H2/t21-/m1/s1

InChI Key

ZSPCMPFOCRHCQA-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19921689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.752

Distribution Coefficient, logD

2.932

Water Solubility, LogSw

-4.79

Polar Surface Area

33.154

Acid Dissociation Constant (pKa)

5.59

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

V029-5449 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V029-5449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-5449?
Check Price and Availability of V029-5449, 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 V029-5449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-5449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-5449
  • 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 V029-5449 available by request