6016-3233 Screening compound: methyl 3-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanoate

6016-3233 Screening compound: methyl 3-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanoate
6016-3233 Screening compound: methyl 3-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6016-3233
methyl 3-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanoate

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

6016-3233

Molecular Formula

C18H15ClN2O3 (C18 H15 ClN2 O3)

Compound Name

methyl 3-[4-(4-chlorophenyl)-1-oxo-1,2-dihydrophthalazin-2-yl]propanoate

IUPAC name

methyl 3-[4-(4-chlorophenyl)-1-oxo-12-dihydrophthalazin-2-yl]propanoate

SMILES

COC(CCN1N=C(c(cc2)ccc2Cl)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C18H15ClN2O3/c1-24-16(22)10-11-21-18(23)15-5-3-2-4-14(15)17(20-21)12-6-8-13(19)9-7-12/h2-9H,10-11H2,1H3

InChI Key

LEUYXBWPKGKHSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04169369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.938

Distribution Coefficient, logD

2.938

Water Solubility, LogSw

-3.68

Polar Surface Area

48.024

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

6016-3233 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6016-3233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6016-3233?
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What is the minimum amount of 6016-3233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6016-3233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6016-3233
  • 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 6016-3233 available by request