C301-5684 Screening compound: 2-(4-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)-1,2,3,4-tetrahydrophthalazine-1,4-dione

C301-5684 Screening compound: 2-(4-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)-1,2,3,4-tetrahydrophthalazine-1,4-dione
C301-5684 Screening compound: 2-(4-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)-1,2,3,4-tetrahydrophthalazine-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5684
2-(4-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)-1,2,3,4-tetrahydrophthalazine-1,4-dione

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

C301-5684

Molecular Formula

C25H24N4O5S (C25 H24 N4 O5 S)

Compound Name

2-(4-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)-1,2,3,4-tetrahydrophthalazine-1,4-dione

IUPAC name

2-(4-{[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl}phenyl)-1234-tetrahydrophthalazine-14-dione

SMILES

COc(cc1)ccc1N(CC1)CCN1S(c(cc1)ccc1N(C(c1c2cccc1)=O)NC2=O)(=O)=O

InChI

InChI=1S/C25H24N4O5S/c1-34-20-10-6-18(7-11-20)27-14-16-28(17-15-27)35(32,33)21-12-8-19(9-13-21)29-25(31)23-5-3-2-4-22(23)24(30)26-29/h2-13H,14-17H2,1H3,(H,26,30)

InChI Key

IMXPOIKEJFLOHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.936

Distribution Coefficient, logD

1.922

Water Solubility, LogSw

-2.86

Polar Surface Area

84.909

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C301-5684 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-5684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5684?
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What is the minimum amount of C301-5684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5684
  • 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 C301-5684 available by request