V013-3500 Screening compound: N-[6-(4-cyclopentanecarbonylpiperazin-1-yl)pyridin-3-yl]-3-methoxybenzamide

V013-3500 Screening compound: N-[6-(4-cyclopentanecarbonylpiperazin-1-yl)pyridin-3-yl]-3-methoxybenzamide
V013-3500 Screening compound: N-[6-(4-cyclopentanecarbonylpiperazin-1-yl)pyridin-3-yl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-3500
N-[6-(4-cyclopentanecarbonylpiperazin-1-yl)pyridin-3-yl]-3-methoxybenzamide

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

V013-3500

Molecular Formula

C23H28N4O3 (C23 H28 N4 O3)

Compound Name

N-[6-(4-cyclopentanecarbonylpiperazin-1-yl)pyridin-3-yl]-3-methoxybenzamide

IUPAC name

N-[6-(4-cyclopentanecarbonylpiperazin-1-yl)pyridin-3-yl]-3-methoxybenzamide

SMILES

COc1cccc(C(Nc(cc2)cnc2N(CC2)CCN2C(C2CCCC2)=O)=O)c1

InChI

InChI=1S/C23H28N4O3/c1-30-20-8-4-7-18(15-20)22(28)25-19-9-10-21(24-16-19)26-11-13-27(14-12-26)23(29)17-5-2-3-6-17/h4,7-10,15-17H,2-3,5-6,11-14H2,1H3,(H,25,28)

InChI Key

CVEGDRUDRGKAPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19898719

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

408.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.956

Distribution Coefficient, logD

3.956

Water Solubility, LogSw

-4.00

Polar Surface Area

59.941

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

V013-3500 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V013-3500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-3500?
Check Price and Availability of V013-3500, 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 V013-3500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-3500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-3500
  • 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 V013-3500 available by request