Y040-8739 Screening compound: N-(3-acetamidophenyl)-4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamide

Y040-8739 Screening compound: N-(3-acetamidophenyl)-4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamide
Y040-8739 Screening compound: N-(3-acetamidophenyl)-4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8739
N-(3-acetamidophenyl)-4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamide

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

Y040-8739

Molecular Formula

C19H19N5O3 (C19 H19 N5 O3)

Compound Name

N-(3-acetamidophenyl)-4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamide

IUPAC name

N-(3-acetamidophenyl)-4-(4-oxo-34-dihydro-123-benzotriazin-3-yl)butanamide

SMILES

CC(Nc1cccc(NC(CCCN2N=Nc(cccc3)c3C2=O)=O)c1)=O

InChI

InChI=1S/C19H19N5O3/c1-13(25)20-14-6-4-7-15(12-14)21-18(26)10-5-11-24-19(27)16-8-2-3-9-17(16)22-23-24/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,25)(H,21,26)

InChI Key

XAGOTNXDTKCCBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09792610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.383

Distribution Coefficient, logD

1.383

Water Solubility, LogSw

-2.30

Polar Surface Area

87.322

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

Y040-8739 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y040-8739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8739?
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What is the minimum amount of Y040-8739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8739
  • 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 Y040-8739 available by request