V019-5112 Screening compound: benzyl 4-[3-(2H-1,3-benzodioxole-5-amido)pyrazine-2-amido]piperidine-1-carboxylate

V019-5112 Screening compound: benzyl 4-[3-(2H-1,3-benzodioxole-5-amido)pyrazine-2-amido]piperidine-1-carboxylate
V019-5112 Screening compound: benzyl 4-[3-(2H-1,3-benzodioxole-5-amido)pyrazine-2-amido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-5112
benzyl 4-[3-(2H-1,3-benzodioxole-5-amido)pyrazine-2-amido]piperidine-1-carboxylate

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

V019-5112

Molecular Formula

C26H25N5O6 (C26 H25 N5 O6)

Compound Name

benzyl 4-[3-(2H-1,3-benzodioxole-5-amido)pyrazine-2-amido]piperidine-1-carboxylate

IUPAC name

benzyl 4-[3-(2H-13-benzodioxole-5-amido)pyrazine-2-amido]piperidine-1-carboxylate

SMILES

O=C(c(cc1)cc2c1OCO2)Nc1nccnc1C(NC(CC1)CCN1C(OCc1ccccc1)=O)=O

InChI

InChI=1S/C26H25N5O6/c32-24(18-6-7-20-21(14-18)37-16-36-20)30-23-22(27-10-11-28-23)25(33)29-19-8-12-31(13-9-19)26(34)35-15-17-4-2-1-3-5-17/h1-7,10-11,14,19H,8-9,12-13,15-16H2,(H,29,33)(H,28,30,32)

InChI Key

GOBNOJZZOXOCCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19906897

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

503.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.853

Distribution Coefficient, logD

2.566

Water Solubility, LogSw

-3.42

Polar Surface Area

106.974

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

V019-5112 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Anti-HIV1 Library (19540 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with V019-5112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-5112?
Check Price and Availability of V019-5112, 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 V019-5112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-5112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-5112
  • 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 V019-5112 available by request