C585-0181 Screening compound: (2Z)-N-(2,3-dimethylphenyl)-8-methoxy-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine

C585-0181 Screening compound: (2Z)-N-(2,3-dimethylphenyl)-8-methoxy-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine
C585-0181 Screening compound: (2Z)-N-(2,3-dimethylphenyl)-8-methoxy-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound C585-0181
(2Z)-N-(2,3-dimethylphenyl)-8-methoxy-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

C585-0181

Molecular Formula

C25H23NO4S (C25 H23 NO4 S)

Compound Name

(2Z)-N-(2,3-dimethylphenyl)-8-methoxy-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine

IUPAC name

(2Z)-N-(23-dimethylphenyl)-8-methoxy-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine

SMILES

Cc(cc1)ccc1S(C1=Cc(cccc2OC)c2O/C1=N\c1c(C)c(C)ccc1)(=O)=O

InChI

InChI=1S/C25H23NO4S/c1-16-11-13-20(14-12-16)31(27,28)23-15-19-8-6-10-22(29-4)24(19)30-25(23)26-21-9-5-7-17(2)18(21)3/h5-15H,1-4H3

InChI Key

KUPXRPIAKVILQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.614

Distribution Coefficient, logD

5.613

Water Solubility, LogSw

-5.57

Polar Surface Area

52.063

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with C585-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C585-0181?
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What is the minimum amount of C585-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C585-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C585-0181
  • 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 C585-0181 available by request