F581-0156 Screening compound: 1-(difluoromethyl)-N-(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-5-methyl-1H-pyrazole-4-sulfonamide

F581-0156 Screening compound: 1-(difluoromethyl)-N-(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-5-methyl-1H-pyrazole-4-sulfonamide
F581-0156 Screening compound: 1-(difluoromethyl)-N-(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-5-methyl-1H-pyrazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F581-0156
1-(difluoromethyl)-N-(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-5-methyl-1H-pyrazole-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

F581-0156

Molecular Formula

C15H17F2N3O4S (C15 H17 F2 N3 O4 S)

Compound Name

1-(difluoromethyl)-N-(8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)-5-methyl-1H-pyrazole-4-sulfonamide

IUPAC name

1-(difluoromethyl)-N-(8-methoxy-34-dihydro-2H-1-benzopyran-3-yl)-5-methyl-1H-pyrazole-4-sulfonamide

SMILES

Cc(n(C(F)F)nc1)c1S(NC(C1)COc2c1cccc2OC)(=O)=O

InChI

InChI=1S/C15H17F2N3O4S/c1-9-13(7-18-20(9)15(16)17)25(21,22)19-11-6-10-4-3-5-12(23-2)14(10)24-8-11/h3-5,7,11,15,19H,6,8H2,1-2H3/t11-/m0/s1

InChI Key

PDUXEYYNSBRALB-NSHDSACASA-N

MDL Number (MFCD)

MFCD27176862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.433

Distribution Coefficient, logD

1.431

Water Solubility, LogSw

-2.36

Polar Surface Area

71.014

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

F581-0156 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F581-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F581-0156?
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What is the minimum amount of F581-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F581-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F581-0156
  • 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 F581-0156 available by request