V031-2955 Screening compound: 3-[3-(1,3-benzodioxol-5-yl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N~1~-isobutylpropanamide

V031-2955 Screening compound: 3-[3-(1,3-benzodioxol-5-yl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N~1~-isobutylpropanamide
V031-2955 Screening compound: 3-[3-(1,3-benzodioxol-5-yl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N~1~-isobutylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2955
3-[3-(1,3-benzodioxol-5-yl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N~1~-isobutylpropanamide

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

V031-2955

Molecular Formula

C17H20N4O4 (C17 H20 N4 O4)

Compound Name

3-[3-(1,3-benzodioxol-5-yl)-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl]-N~1~-isobutylpropanamide

IUPAC name

n/a

SMILES

CC(C)CNC(CCC1=NNC(c(cc2)cc3c2OCO3)=NC1=O)=O

InChI

InChI=1S/C17H20N4O4/c1-10(2)8-18-15(22)6-4-12-17(23)19-16(21-20-12)11-3-5-13-14(7-11)25-9-24-13/h3,5,7,10H,4,6,8-9H2,1-2H3,(H,18,22)(H,19,21,23)

InChI Key

XTPPKPRMUJIXDS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.252

Distribution Coefficient, logD

1.252

Water Solubility, LogSw

-2.11

Polar Surface Area

88.167

Acid Dissociation Constant (pKa)

10.36

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

V031-2955 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V031-2955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2955?
Check Price and Availability of V031-2955, 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 V031-2955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2955
  • 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 V031-2955 available by request