K979-0802 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(4-ethoxyphenyl)-1,2-dihydrophthalazin-1-one

K979-0802 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(4-ethoxyphenyl)-1,2-dihydrophthalazin-1-one
K979-0802 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(4-ethoxyphenyl)-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K979-0802
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(4-ethoxyphenyl)-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

K979-0802

Molecular Formula

C29H28N4O5 (C29 H28 N4 O5)

Compound Name

4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(4-ethoxyphenyl)-1,2-dihydrophthalazin-1-one

IUPAC name

4-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(4-ethoxyphenyl)-12-dihydrophthalazin-1-one

SMILES

CCOc(cc1)ccc1N1N=C(C(N2CCN(Cc(cc3)cc4c3OCO4)CC2)=O)c(cccc2)c2C1=O

InChI

InChI=1S/C29H28N4O5/c1-2-36-22-10-8-21(9-11-22)33-28(34)24-6-4-3-5-23(24)27(30-33)29(35)32-15-13-31(14-16-32)18-20-7-12-25-26(17-20)38-19-37-25/h3-12,17H,2,13-16,18-19H2,1H3

InChI Key

TWCHVESJDCSWBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15115978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.494

Distribution Coefficient, logD

3.399

Water Solubility, LogSw

-3.63

Polar Surface Area

70.475

Acid Dissociation Constant (pKa)

28.77

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

K979-0802 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K979-0802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K979-0802?
Check Price and Availability of K979-0802, 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 K979-0802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K979-0802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K979-0802
  • 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 K979-0802 available by request