C696-1143 Screening compound: 2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-[(thiophen-2-yl)methyl]acetamide

C696-1143 Screening compound: 2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-[(thiophen-2-yl)methyl]acetamide
C696-1143 Screening compound: 2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-[(thiophen-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C696-1143
2-{1-oxo-4-[(pyridin-3-yl)methyl]-1,2-dihydrophthalazin-2-yl}-N-[(thiophen-2-yl)methyl]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

C696-1143

Molecular Formula

C21H18N4O2S (C21 H18 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN1N=C(Cc2cnccc2)c(cccc2)c2C1=O)NCc1cccs1

InChI

InChI=1S/C21H18N4O2S/c26-20(23-13-16-6-4-10-28-16)14-25-21(27)18-8-2-1-7-17(18)19(24-25)11-15-5-3-9-22-12-15/h1-10,12H,11,13-14H2,(H,23,26)

InChI Key

OZSJLJISUVQSIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14783743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.47

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

2.063

Distribution Coefficient, logD

2.051

Water Solubility, LogSw

-2.63

Polar Surface Area

62.106

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

5.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C696-1143 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C696-1143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C696-1143?
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What is the minimum amount of C696-1143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C696-1143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C696-1143
  • 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 C696-1143 available by request