C585-0094 Screening compound: (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine

C585-0094 Screening compound: (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine
C585-0094 Screening compound: (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound C585-0094
(2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine

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

C585-0094

Molecular Formula

C23H17NO5S (C23 H17 NO5 S)

Compound Name

(2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine

IUPAC name

(2Z)-N-(2H-13-benzodioxol-5-yl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine

SMILES

Cc(cc1)ccc1S(C1=Cc(cccc2)c2O/C1=N\c(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C23H17NO5S/c1-15-6-9-18(10-7-15)30(25,26)22-12-16-4-2-3-5-19(16)29-23(22)24-17-8-11-20-21(13-17)28-14-27-20/h2-13H,14H2,1H3

InChI Key

GINWZNNPOTUXQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.888

Distribution Coefficient, logD

4.887

Water Solubility, LogSw

-4.74

Polar Surface Area

62.561

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C585-0094 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C585-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C585-0094?
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What is the minimum amount of C585-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C585-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C585-0094
  • 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 C585-0094 available by request