V012-5649 Screening compound: 4-(2-chlorobenzyl)-2-phenyl-6-(1-pyrrolidinylcarbonyl)-1,2,4-triazine-3,5(2H,4H)-dione

V012-5649 Screening compound: 4-(2-chlorobenzyl)-2-phenyl-6-(1-pyrrolidinylcarbonyl)-1,2,4-triazine-3,5(2H,4H)-dione
V012-5649 Screening compound: 4-(2-chlorobenzyl)-2-phenyl-6-(1-pyrrolidinylcarbonyl)-1,2,4-triazine-3,5(2H,4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-5649
4-(2-chlorobenzyl)-2-phenyl-6-(1-pyrrolidinylcarbonyl)-1,2,4-triazine-3,5(2H,4H)-dione

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

V012-5649

Molecular Formula

C21H19ClN4O3 (C21 H19 ClN4 O3)

Compound Name

4-(2-chlorobenzyl)-2-phenyl-6-(1-pyrrolidinylcarbonyl)-1,2,4-triazine-3,5(2H,4H)-dione

IUPAC name

n/a

SMILES

O=C(C(C(N1Cc(cccc2)c2Cl)=O)=NN(c2ccccc2)C1=O)N1CCCC1

InChI

InChI=1S/C21H19ClN4O3/c22-17-11-5-4-8-15(17)14-25-20(28)18(19(27)24-12-6-7-13-24)23-26(21(25)29)16-9-2-1-3-10-16/h1-5,8-11H,6-7,12-14H2

InChI Key

PDWMLYOQNAIOES-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.312

Distribution Coefficient, logD

3.312

Water Solubility, LogSw

-3.34

Polar Surface Area

59.259

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with V012-5649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-5649?
Check Price and Availability of V012-5649, 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 V012-5649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-5649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-5649
  • 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 V012-5649 available by request