C696-1151 Screening compound: 2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-1-one

C696-1151 Screening compound: 2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-1-one
C696-1151 Screening compound: 2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-1151
2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-[(pyridin-3-yl)methyl]-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

C696-1151

Molecular Formula

C28H29N5O2 (C28 H29 N5 O2)

Compound Name

2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-1-one

IUPAC name

2-{2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-4-[(pyridin-3-yl)methyl]-12-dihydrophthalazin-1-one

SMILES

CC(CN(CC1)C(CN2N=C(Cc3cnccc3)c(cccc3)c3C2=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C28H29N5O2/c1-20-7-5-9-23(15-20)32-14-13-31(18-21(32)2)27(34)19-33-28(35)25-11-4-3-10-24(25)26(30-33)16-22-8-6-12-29-17-22/h3-12,15,17,21H,13-14,16,18-19H2,1-2H3/t21-/m0/s1

InChI Key

QEHHACLAWCSOPS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14783749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.006

Distribution Coefficient, logD

2.994

Water Solubility, LogSw

-3.11

Polar Surface Area

55.488

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C696-1151 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C696-1151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-1151?
Check Price and Availability of C696-1151, 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 C696-1151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-1151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-1151
  • 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 C696-1151 available by request