Y040-8691 Screening compound: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-1,2,3-benzotriazin-4-one

Y040-8691 Screening compound: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-1,2,3-benzotriazin-4-one
Y040-8691 Screening compound: 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-1,2,3-benzotriazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8691
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-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

Y040-8691

Molecular Formula

C20H21N5O2 (C20 H21 N5 O2)

Compound Name

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

IUPAC name

3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-34-dihydro-123-benzotriazin-4-one

SMILES

O=C(CN1N=Nc(cccc2)c2C1=O)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C20H21N5O2/c26-19(15-25-20(27)17-8-4-5-9-18(17)21-22-25)24-12-10-23(11-13-24)14-16-6-2-1-3-7-16/h1-9H,10-15H2

InChI Key

PTEMCQZWCDDHCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.42

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

1.702

Distribution Coefficient, logD

1.687

Water Solubility, LogSw

-2.47

Polar Surface Area

60.866

Acid Dissociation Constant (pKa)

19.47

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

Y040-8691 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with Y040-8691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8691?
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What is the minimum amount of Y040-8691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8691
  • 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 Y040-8691 available by request