C585-0384 Screening compound: (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethylbenzenesulfonyl)-7-methoxy-2H-chromen-2-imine

C585-0384 Screening compound: (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethylbenzenesulfonyl)-7-methoxy-2H-chromen-2-imine
C585-0384 Screening compound: (2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethylbenzenesulfonyl)-7-methoxy-2H-chromen-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound C585-0384
(2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethylbenzenesulfonyl)-7-methoxy-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

C585-0384

Molecular Formula

C25H21NO6S (C25 H21 NO6 S)

Compound Name

(2Z)-N-(2H-1,3-benzodioxol-5-yl)-3-(3,4-dimethylbenzenesulfonyl)-7-methoxy-2H-chromen-2-imine

IUPAC name

(2Z)-N-(2H-13-benzodioxol-5-yl)-3-(34-dimethylbenzenesulfonyl)-7-methoxy-2H-chromen-2-imine

SMILES

Cc(cc1)c(C)cc1S(C1=Cc(ccc(OC)c2)c2O/C1=N\c(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C25H21NO6S/c1-15-4-8-20(10-16(15)2)33(27,28)24-11-17-5-7-19(29-3)13-22(17)32-25(24)26-18-6-9-21-23(12-18)31-14-30-21/h4-13H,14H2,1-3H3

InChI Key

INHYHXNSIXGNDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.457

Distribution Coefficient, logD

5.457

Water Solubility, LogSw

-5.55

Polar Surface Area

70.105

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with C585-0384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C585-0384?
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What is the minimum amount of C585-0384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C585-0384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C585-0384
  • 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 C585-0384 available by request