F581-0300 Screening compound: N-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide

F581-0300 Screening compound: N-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide
F581-0300 Screening compound: N-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F581-0300
N-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-2,1,3-benzothiadiazole-4-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

F581-0300

Molecular Formula

C16H15N3O4S2 (C16 H15 N3 O4 S2)

Compound Name

N-(6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-(6-methoxy-34-dihydro-2H-1-benzopyran-3-yl)-213-benzothiadiazole-4-sulfonamide

SMILES

COc(cc1)cc(C2)c1OCC2NS(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C16H15N3O4S2/c1-22-12-5-6-14-10(8-12)7-11(9-23-14)19-25(20,21)15-4-2-3-13-16(15)18-24-17-13/h2-6,8,11,19H,7,9H2,1H3/t11-/m0/s1

InChI Key

VXLUFNRNMLQQRI-NSHDSACASA-N

MDL Number (MFCD)

MFCD27176894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.061

Distribution Coefficient, logD

3.058

Water Solubility, LogSw

-3.47

Polar Surface Area

78.610

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

F581-0300 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F581-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F581-0300?
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What is the minimum amount of F581-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F581-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F581-0300
  • 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 F581-0300 available by request