8017-1344 Screening compound: N~1~,N~1~,2-trimethyl-5-[3-(4-pyridyl)[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-1-benzenesulfonamide

8017-1344 Screening compound: N~1~,N~1~,2-trimethyl-5-[3-(4-pyridyl)[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-1-benzenesulfonamide
8017-1344 Screening compound: N~1~,N~1~,2-trimethyl-5-[3-(4-pyridyl)[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1344
N~1~,N~1~,2-trimethyl-5-[3-(4-pyridyl)[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-1-benzenesulfonamide

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

8017-1344

Molecular Formula

C23H20N6O2S (C23 H20 N6 O2 S)

Compound Name

N~1~,N~1~,2-trimethyl-5-[3-(4-pyridyl)[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-1-benzenesulfonamide

IUPAC name

NN2-trimethyl-5-[3-(pyridin-4-yl)-[124]triazolo[34-a]phthalazin-6-yl]benzene-1-sulfonamide

SMILES

Cc(ccc(-c(c1c2cccc1)nn1c2nnc1-c1ccncc1)c1)c1S(N(C)C)(=O)=O

InChI

InChI=1S/C23H20N6O2S/c1-15-8-9-17(14-20(15)32(30,31)28(2)3)21-18-6-4-5-7-19(18)23-26-25-22(29(23)27-21)16-10-12-24-13-11-16/h4-14H,1-3H3

InChI Key

NZHIBAHGRFDHRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.259

Distribution Coefficient, logD

3.259

Water Solubility, LogSw

-3.45

Polar Surface Area

76.263

Acid Dissociation Constant (pKa)

26.69

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

8017-1344 in Drug Discovery

Included in Screening Libraries

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

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 8017-1344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1344?
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What is the minimum amount of 8017-1344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1344
  • 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 8017-1344 available by request