M115-1030 Screening compound: 3-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,4-dihydropyridazin-1-yl}benzonitrile

M115-1030 Screening compound: 3-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,4-dihydropyridazin-1-yl}benzonitrile
M115-1030 Screening compound: 3-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,4-dihydropyridazin-1-yl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound M115-1030
3-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,4-dihydropyridazin-1-yl}benzonitrile

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

M115-1030

Molecular Formula

C19H10ClN5O2 (C19 H10 ClN5 O2)

Compound Name

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

IUPAC name

3-{3-[3-(4-chlorophenyl)-124-oxadiazol-5-yl]-4-oxo-14-dihydropyridazin-1-yl}benzonitrile

SMILES

N#Cc1cccc(N(C=C2)N=C(c3nc(-c(cc4)ccc4Cl)no3)C2=O)c1

InChI

InChI=1S/C19H10ClN5O2/c20-14-6-4-13(5-7-14)18-22-19(27-24-18)17-16(26)8-9-25(23-17)15-3-1-2-12(10-15)11-21/h1-10H

InChI Key

BVTJDHHYNLCBPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27497685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.044

Distribution Coefficient, logD

4.044

Water Solubility, LogSw

-4.58

Polar Surface Area

75.111

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

M115-1030 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M115-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M115-1030?
Check Price and Availability of M115-1030, 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 M115-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M115-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M115-1030
  • 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 M115-1030 available by request