Y040-9770 Screening compound: 3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-3,4-dihydro-1,2,3-benzotriazin-4-one

Y040-9770 Screening compound: 3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-3,4-dihydro-1,2,3-benzotriazin-4-one
Y040-9770 Screening compound: 3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-3,4-dihydro-1,2,3-benzotriazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9770
3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-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

Y040-9770

Molecular Formula

C21H23N5O2 (C21 H23 N5 O2)

Compound Name

3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-3,4-dihydro-1,2,3-benzotriazin-4-one

IUPAC name

3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-34-dihydro-123-benzotriazin-4-one

SMILES

O=C(CCCN1N=Nc(cccc2)c2C1=O)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C21H23N5O2/c27-20(25-15-13-24(14-16-25)17-7-2-1-3-8-17)11-6-12-26-21(28)18-9-4-5-10-19(18)22-23-26/h1-5,7-10H,6,11-16H2

InChI Key

WMCIFCOVADPAGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.220

Distribution Coefficient, logD

2.220

Water Solubility, LogSw

-2.84

Polar Surface Area

60.564

Acid Dissociation Constant (pKa)

24.45

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with Y040-9770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9770?
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What is the minimum amount of Y040-9770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9770
  • 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 Y040-9770 available by request