F581-0131 Screening compound: 2,5-dimethoxy-N-(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)benzene-1-sulfonamide

F581-0131 Screening compound: 2,5-dimethoxy-N-(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)benzene-1-sulfonamide
F581-0131 Screening compound: 2,5-dimethoxy-N-(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F581-0131
2,5-dimethoxy-N-(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)benzene-1-sulfonamide

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

F581-0131

Molecular Formula

C18H21NO6S (C18 H21 NO6 S)

Compound Name

2,5-dimethoxy-N-(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)benzene-1-sulfonamide

IUPAC name

25-dimethoxy-N-(8-methoxy-34-dihydro-2H-1-benzopyran-3-yl)benzene-1-sulfonamide

SMILES

COc(cc1)cc(S(NC(C2)COc3c2cccc3OC)(=O)=O)c1OC

InChI

InChI=1S/C18H21NO6S/c1-22-14-7-8-15(23-2)17(10-14)26(20,21)19-13-9-12-5-4-6-16(24-3)18(12)25-11-13/h4-8,10,13,19H,9,11H2,1-3H3/t13-/m0/s1

InChI Key

MOIUNODTTFGCTQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD27176851

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.729

Water Solubility, LogSw

-3.29

Polar Surface Area

72.602

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

F581-0131 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with F581-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F581-0131?
Check Price and Availability of F581-0131, 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 F581-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F581-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F581-0131
  • 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 F581-0131 available by request