C585-0085 Screening compound: (2Z)-N-(3,4-difluorophenyl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine

C585-0085 Screening compound: (2Z)-N-(3,4-difluorophenyl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine
C585-0085 Screening compound: (2Z)-N-(3,4-difluorophenyl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound C585-0085
(2Z)-N-(3,4-difluorophenyl)-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

C585-0085

Molecular Formula

C22H15F2NO3S (C22 H15 F2 NO3 S)

Compound Name

(2Z)-N-(3,4-difluorophenyl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine

IUPAC name

(2Z)-N-(34-difluorophenyl)-3-(4-methylbenzenesulfonyl)-2H-chromen-2-imine

SMILES

Cc(cc1)ccc1S(C1=Cc(cccc2)c2O/C1=N\c(cc1)cc(F)c1F)(=O)=O

InChI

InChI=1S/C22H15F2NO3S/c1-14-6-9-17(10-7-14)29(26,27)21-12-15-4-2-3-5-20(15)28-22(21)25-16-8-11-18(23)19(24)13-16/h2-13H,1H3

InChI Key

VEADSJVWJZJXCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.300

Distribution Coefficient, logD

5.300

Water Solubility, LogSw

-5.45

Polar Surface Area

45.446

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with C585-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C585-0085?
Check Price and Availability of C585-0085, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C585-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C585-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C585-0085
  • 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 C585-0085 available by request