P040-1808 Screening compound: 2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(2-methylphenyl)acetamide

P040-1808 Screening compound: 2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(2-methylphenyl)acetamide
P040-1808 Screening compound: 2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P040-1808
2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(2-methylphenyl)acetamide

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

P040-1808

Molecular Formula

C21H16ClN5O3 (C21 H16 ClN5 O3)

Compound Name

2-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(2-methylphenyl)acetamide

IUPAC name

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

SMILES

Cc(cccc1)c1NC(CN(C(C=C1)=O)N=C1c1nc(-c(cc2)ccc2Cl)no1)=O

InChI

InChI=1S/C21H16ClN5O3/c1-13-4-2-3-5-16(13)23-18(28)12-27-19(29)11-10-17(25-27)21-24-20(26-30-21)14-6-8-15(22)9-7-14/h2-11H,12H2,1H3,(H,23,28)

InChI Key

POMYHIAMAATNFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

3.820

Water Solubility, LogSw

-4.47

Polar Surface Area

82.676

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

P040-1808 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P040-1808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P040-1808?
Check Price and Availability of P040-1808, 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 P040-1808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P040-1808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P040-1808
  • 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 P040-1808 available by request