C696-0998 Screening compound: 2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-[3-(trifluoromethyl)phenyl]acetamide

C696-0998 Screening compound: 2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-[3-(trifluoromethyl)phenyl]acetamide
C696-0998 Screening compound: 2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-0998
2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-[3-(trifluoromethyl)phenyl]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

C696-0998

Molecular Formula

C23H17F3N4O2 (C23 H17 F3 N4 O2)

Compound Name

2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{1-oxo-4-[(pyridin-3-yl)methyl]-12-dihydrophthalazin-2-yl}-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN1N=C(Cc2cnccc2)c(cccc2)c2C1=O)Nc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C23H17F3N4O2/c24-23(25,26)16-6-3-7-17(12-16)28-21(31)14-30-22(32)19-9-2-1-8-18(19)20(29-30)11-15-5-4-10-27-13-15/h1-10,12-13H,11,14H2,(H,28,31)

InChI Key

ZATQYBJLSJUHIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.553

Distribution Coefficient, logD

3.541

Water Solubility, LogSw

-3.67

Polar Surface Area

59.766

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C696-0998 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C696-0998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-0998?
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What is the minimum amount of C696-0998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-0998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-0998
  • 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 C696-0998 available by request