Y041-3752 Screening compound: 3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanoic acid

Y041-3752 Screening compound: 3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanoic acid
Y041-3752 Screening compound: 3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3752
3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanoic acid

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

Y041-3752

Molecular Formula

C10H9N3O3 (C10 H9 N3 O3)

Compound Name

3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanoic acid

IUPAC name

3-(4-oxo-34-dihydro-123-benzotriazin-3-yl)propanoic acid

SMILES

OC(CCN1N=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C10H9N3O3/c14-9(15)5-6-13-10(16)7-3-1-2-4-8(7)11-12-13/h1-4H,5-6H2,(H,14,15)

InChI Key

AHKDQGZBLDBPNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02926470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.228

Distribution Coefficient, logD

-2.468

Water Solubility, LogSw

-2.04

Polar Surface Area

69.566

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y041-3752 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y041-3752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3752?
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What is the minimum amount of Y041-3752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3752
  • 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 Y041-3752 available by request