P040-0403 Screening compound: tert-butyl 2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}acetate

P040-0403 Screening compound: tert-butyl 2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}acetate
P040-0403 Screening compound: tert-butyl 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 P040-0403
tert-butyl 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

P040-0403

Molecular Formula

C18H17ClN4O4 (C18 H17 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H17ClN4O4/c1-18(2,3)26-15(25)10-23-14(24)9-8-13(21-23)17-20-16(22-27-17)11-4-6-12(19)7-5-11/h4-9H,10H2,1-3H3

InChI Key

DNZOTJMVQFNLJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.81

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

3.919

Distribution Coefficient, logD

3.919

Water Solubility, LogSw

-4.51

Polar Surface Area

79.765

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

P040-0403 in Drug Discovery

Included in Screening Libraries

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 P040-0403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P040-0403?
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What is the minimum amount of P040-0403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P040-0403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P040-0403
  • 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 P040-0403 available by request