V031-3058 Screening compound: N-{1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(pyrrolidin-1-yl)ethyl}-2-methylbenzamide

V031-3058 Screening compound: N-{1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(pyrrolidin-1-yl)ethyl}-2-methylbenzamide
V031-3058 Screening compound: N-{1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(pyrrolidin-1-yl)ethyl}-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-3058
N-{1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(pyrrolidin-1-yl)ethyl}-2-methylbenzamide

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

V031-3058

Molecular Formula

C26H30BrN3O3 (C26 H30 BrN3 O3)

Compound Name

N-{1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(pyrrolidin-1-yl)ethyl}-2-methylbenzamide

IUPAC name

N-{1-[1-(3-bromobenzoyl)piperidin-4-yl]-2-oxo-2-(pyrrolidin-1-yl)ethyl}-2-methylbenzamide

SMILES

Cc(cccc1)c1C(NC(C(CC1)CCN1C(c1cccc(Br)c1)=O)C(N1CCCC1)=O)=O

InChI

InChI=1S/C26H30BrN3O3/c1-18-7-2-3-10-22(18)24(31)28-23(26(33)29-13-4-5-14-29)19-11-15-30(16-12-19)25(32)20-8-6-9-21(27)17-20/h2-3,6-10,17,19,23H,4-5,11-16H2,1H3,(H,28,31)/t23-/m0/s1

InChI Key

LKAGNNZUDXGJIK-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19874851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.153

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-4.22

Polar Surface Area

57.666

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

V031-3058 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V031-3058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-3058?
Check Price and Availability of V031-3058, 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 V031-3058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-3058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-3058
  • 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 V031-3058 available by request