P040-0390 Screening compound: propan-2-yl 2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}acetate

P040-0390 Screening compound: propan-2-yl 2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}acetate
P040-0390 Screening compound: propan-2-yl 2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound P040-0390
propan-2-yl 2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}acetate

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

P040-0390

Molecular Formula

C17H15ClN4O4 (C17 H15 ClN4 O4)

Compound Name

propan-2-yl 2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}acetate

IUPAC name

propan-2-yl 2-{3-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]-6-oxo-16-dihydropyridazin-1-yl}acetate

SMILES

CC(C)OC(CN(C(C=C1)=O)N=C1c1nc(-c(cc2)ccc2Cl)no1)=O

InChI

InChI=1S/C17H15ClN4O4/c1-10(2)25-15(24)9-22-14(23)8-7-13(20-22)17-19-16(21-26-17)11-3-5-12(18)6-4-11/h3-8,10H,9H2,1-2H3

InChI Key

MMUMRJSFXAQSED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.78

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.238

Distribution Coefficient, logD

3.238

Water Solubility, LogSw

-3.68

Polar Surface Area

80.334

Acid Dissociation Constant (pKa)

18.15

Base Dissociation Constant (pKb)

0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

P040-0390 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P040-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P040-0390?
Check Price and Availability of P040-0390, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P040-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P040-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P040-0390
  • 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 P040-0390 available by request