V013-4094 Screening compound: N-(1-benzoylpiperidin-4-yl)-3-(4-methoxybenzamido)pyrazine-2-carboxamide

V013-4094 Screening compound: N-(1-benzoylpiperidin-4-yl)-3-(4-methoxybenzamido)pyrazine-2-carboxamide
V013-4094 Screening compound: N-(1-benzoylpiperidin-4-yl)-3-(4-methoxybenzamido)pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4094
N-(1-benzoylpiperidin-4-yl)-3-(4-methoxybenzamido)pyrazine-2-carboxamide

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

V013-4094

Molecular Formula

C25H25N5O4 (C25 H25 N5 O4)

Compound Name

N-(1-benzoylpiperidin-4-yl)-3-(4-methoxybenzamido)pyrazine-2-carboxamide

IUPAC name

N-(1-benzoylpiperidin-4-yl)-3-(4-methoxybenzamido)pyrazine-2-carboxamide

SMILES

COc(cc1)ccc1C(Nc1nccnc1C(NC(CC1)CCN1C(c1ccccc1)=O)=O)=O

InChI

InChI=1S/C25H25N5O4/c1-34-20-9-7-17(8-10-20)23(31)29-22-21(26-13-14-27-22)24(32)28-19-11-15-30(16-12-19)25(33)18-5-3-2-4-6-18/h2-10,13-14,19H,11-12,15-16H2,1H3,(H,28,32)(H,27,29,31)

InChI Key

ALHJRHOSHJEAAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19906807

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

459.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.720

Distribution Coefficient, logD

1.039

Water Solubility, LogSw

-2.11

Polar Surface Area

90.974

Acid Dissociation Constant (pKa)

6.82

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

V013-4094 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Proteases
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with V013-4094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4094?
Check Price and Availability of V013-4094, 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 V013-4094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4094
  • 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 V013-4094 available by request