P040-0871 Screening compound: tert-butyl 2-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetate

P040-0871 Screening compound: tert-butyl 2-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetate
P040-0871 Screening compound: tert-butyl 2-[3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound P040-0871
tert-butyl 2-[3-(3-tert-butyl-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

P040-0871

Molecular Formula

C16H22N4O4 (C16 H22 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c1noc(C(C=C2)=NN(CC(OC(C)(C)C)=O)C2=O)n1

InChI

InChI=1S/C16H22N4O4/c1-15(2,3)14-17-13(24-19-14)10-7-8-11(21)20(18-10)9-12(22)23-16(4,5)6/h7-8H,9H2,1-6H3

InChI Key

ONLHKWQNKHGGNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.38

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

2.869

Distribution Coefficient, logD

2.869

Water Solubility, LogSw

-2.90

Polar Surface Area

80.036

Acid Dissociation Constant (pKa)

18.73

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

References: we are preparing a list of scientific research reports with P040-0871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P040-0871?
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What is the minimum amount of P040-0871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P040-0871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P040-0871
  • 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 P040-0871 available by request