L100-0042 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methylphenyl)-1,2-dihydrophthalazin-1-one

L100-0042 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methylphenyl)-1,2-dihydrophthalazin-1-one
L100-0042 Screening compound: 2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methylphenyl)-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L100-0042
2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methylphenyl)-1,2-dihydrophthalazin-1-one

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

L100-0042

Molecular Formula

C26H22N4O4 (C26 H22 N4 O4)

Compound Name

2-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(4-methylphenyl)-1,2-dihydrophthalazin-1-one

IUPAC name

2-{[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}-4-(4-methylphenyl)-12-dihydrophthalazin-1-one

SMILES

Cc(cc1)ccc1C(c1c2cccc1)=NN(Cc1nc(-c(cc3)cc(OC)c3OC)no1)C2=O

InChI

InChI=1S/C26H22N4O4/c1-16-8-10-17(11-9-16)24-19-6-4-5-7-20(19)26(31)30(28-24)15-23-27-25(29-34-23)18-12-13-21(32-2)22(14-18)33-3/h4-14H,15H2,1-3H3

InChI Key

XEOVGNSJTDKACB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.472

Water Solubility, LogSw

-4.45

Polar Surface Area

73.799

Acid Dissociation Constant (pKa)

24.99

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with L100-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L100-0042?
Check Price and Availability of L100-0042, 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 L100-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L100-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L100-0042
  • 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 L100-0042 available by request