D073-0096 Screening compound: 3-bromo-N-({6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}methyl)-N-phenylbenzamide

D073-0096 Screening compound: 3-bromo-N-({6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}methyl)-N-phenylbenzamide
D073-0096 Screening compound: 3-bromo-N-({6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}methyl)-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0096
3-bromo-N-({6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}methyl)-N-phenylbenzamide

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

D073-0096

Molecular Formula

C24H18BrN5O (C24 H18 BrN5 O)

Compound Name

3-bromo-N-({6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}methyl)-N-phenylbenzamide

IUPAC name

3-bromo-N-({6-methyl-[124]triazolo[34-a]phthalazin-3-yl}methyl)-N-phenylbenzamide

SMILES

Cc(c1c2cccc1)nn1c2nnc1CN(C(c1cccc(Br)c1)=O)c1ccccc1

InChI

InChI=1S/C24H18BrN5O/c1-16-20-12-5-6-13-21(20)23-27-26-22(30(23)28-16)15-29(19-10-3-2-4-11-19)24(31)17-8-7-9-18(25)14-17/h2-14H,15H2,1H3

InChI Key

YDWMUDRUXZUMKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08572268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.244

Distribution Coefficient, logD

4.244

Water Solubility, LogSw

-4.46

Polar Surface Area

49.848

Acid Dissociation Constant (pKa)

23.80

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D073-0096 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D073-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0096?
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What is the minimum amount of D073-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0096
  • 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 D073-0096 available by request