C585-0028 Screening compound: N-[(2Z)-3-(benzenesulfonyl)-2H-chromen-2-ylidene]-2,3-dihydro-1,4-benzodioxin-6-amine

C585-0028 Screening compound: N-[(2Z)-3-(benzenesulfonyl)-2H-chromen-2-ylidene]-2,3-dihydro-1,4-benzodioxin-6-amine
C585-0028 Screening compound: N-[(2Z)-3-(benzenesulfonyl)-2H-chromen-2-ylidene]-2,3-dihydro-1,4-benzodioxin-6-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C585-0028
N-[(2Z)-3-(benzenesulfonyl)-2H-chromen-2-ylidene]-2,3-dihydro-1,4-benzodioxin-6-amine

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

C585-0028

Molecular Formula

C23H17NO5S (C23 H17 NO5 S)

Compound Name

N-[(2Z)-3-(benzenesulfonyl)-2H-chromen-2-ylidene]-2,3-dihydro-1,4-benzodioxin-6-amine

IUPAC name

N-[(2Z)-3-(benzenesulfonyl)-2H-chromen-2-ylidene]-23-dihydro-14-benzodioxin-6-amine

SMILES

O=S(c1ccccc1)(C1=Cc(cccc2)c2O/C1=N\c(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C23H17NO5S/c25-30(26,18-7-2-1-3-8-18)22-14-16-6-4-5-9-19(16)29-23(22)24-17-10-11-20-21(15-17)28-13-12-27-20/h1-11,14-15H,12-13H2

InChI Key

DUQAIZBNKXMHKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444983

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

3.419

Distribution Coefficient, logD

3.418

Water Solubility, LogSw

-3.78

Polar Surface Area

61.269

Acid Dissociation Constant (pKa)

30.69

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

References: we are preparing a list of scientific research reports with C585-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C585-0028?
Check Price and Availability of C585-0028, 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 C585-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C585-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C585-0028
  • 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 C585-0028 available by request