C430-0428 Screening compound: 3-{[4-(morpholine-4-sulfonyl)phenyl]amino}-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one

C430-0428 Screening compound: 3-{[4-(morpholine-4-sulfonyl)phenyl]amino}-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one
C430-0428 Screening compound: 3-{[4-(morpholine-4-sulfonyl)phenyl]amino}-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0428
3-{[4-(morpholine-4-sulfonyl)phenyl]amino}-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-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

C430-0428

Molecular Formula

C23H22N4O4S (C23 H22 N4 O4 S)

Compound Name

3-{[4-(morpholine-4-sulfonyl)phenyl]amino}-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one

IUPAC name

3-{[4-(morpholine-4-sulfonyl)phenyl]amino}-2-(pyridin-3-yl)-23-dihydro-1H-isoindol-1-one

SMILES

O=C(c1c(C2Nc(cc3)ccc3S(N3CCOCC3)(=O)=O)cccc1)N2c1cnccc1

InChI

InChI=1S/C23H22N4O4S/c28-23-21-6-2-1-5-20(21)22(27(23)18-4-3-11-24-16-18)25-17-7-9-19(10-8-17)32(29,30)26-12-14-31-15-13-26/h1-11,16,22,25H,12-15H2/t22-/m0/s1

InChI Key

BLUNFLINWCKRIQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14756531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.305

Distribution Coefficient, logD

2.305

Water Solubility, LogSw

-2.67

Polar Surface Area

73.528

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

C430-0428 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C430-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0428?
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What is the minimum amount of C430-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0428
  • 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 C430-0428 available by request