Y040-8751 Screening compound: 3-[6-(4-benzylpiperazin-1-yl)-6-oxohexyl]-3,4-dihydro-1,2,3-benzotriazin-4-one

Y040-8751 Screening compound: 3-[6-(4-benzylpiperazin-1-yl)-6-oxohexyl]-3,4-dihydro-1,2,3-benzotriazin-4-one
Y040-8751 Screening compound: 3-[6-(4-benzylpiperazin-1-yl)-6-oxohexyl]-3,4-dihydro-1,2,3-benzotriazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8751
3-[6-(4-benzylpiperazin-1-yl)-6-oxohexyl]-3,4-dihydro-1,2,3-benzotriazin-4-one

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

Y040-8751

Molecular Formula

C24H29N5O2 (C24 H29 N5 O2)

Compound Name

3-[6-(4-benzylpiperazin-1-yl)-6-oxohexyl]-3,4-dihydro-1,2,3-benzotriazin-4-one

IUPAC name

3-[6-(4-benzylpiperazin-1-yl)-6-oxohexyl]-34-dihydro-123-benzotriazin-4-one

SMILES

O=C(CCCCCN1N=Nc(cccc2)c2C1=O)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C24H29N5O2/c30-23(28-17-15-27(16-18-28)19-20-9-3-1-4-10-20)13-5-2-8-14-29-24(31)21-11-6-7-12-22(21)25-26-29/h1,3-4,6-7,9-12H,2,5,8,13-19H2

InChI Key

IINQWHUXTUYVIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.911

Distribution Coefficient, logD

2.878

Water Solubility, LogSw

-3.60

Polar Surface Area

60.844

Acid Dissociation Constant (pKa)

24.47

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with Y040-8751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8751?
Check Price and Availability of Y040-8751, 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 Y040-8751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8751
  • 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 Y040-8751 available by request