F391-0542 Screening compound: 4-(3-fluorophenyl)-3-[methyl(4-methylphenyl)sulfamoyl]-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide

F391-0542 Screening compound: 4-(3-fluorophenyl)-3-[methyl(4-methylphenyl)sulfamoyl]-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide
F391-0542 Screening compound: 4-(3-fluorophenyl)-3-[methyl(4-methylphenyl)sulfamoyl]-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F391-0542
4-(3-fluorophenyl)-3-[methyl(4-methylphenyl)sulfamoyl]-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide

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

F391-0542

Molecular Formula

C25H22FN3O3S2 (C25 H22 FN3 O3 S2)

Compound Name

4-(3-fluorophenyl)-3-[methyl(4-methylphenyl)sulfamoyl]-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide

IUPAC name

4-(3-fluorophenyl)-3-[methyl(4-methylphenyl)sulfamoyl]-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide

SMILES

Cc(cc1)ccc1N(C)S(c1c(C(NCc2cnccc2)=O)scc1-c1cc(F)ccc1)(=O)=O

InChI

InChI=1S/C25H22FN3O3S2/c1-17-8-10-21(11-9-17)29(2)34(31,32)24-22(19-6-3-7-20(26)13-19)16-33-23(24)25(30)28-15-18-5-4-12-27-14-18/h3-14,16H,15H2,1-2H3,(H,28,30)

InChI Key

BWJRVQOZLPTTFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11999554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.526

Distribution Coefficient, logD

4.526

Water Solubility, LogSw

-4.11

Polar Surface Area

67.738

Acid Dissociation Constant (pKa)

12.71

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

F391-0542 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F391-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F391-0542?
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What is the minimum amount of F391-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F391-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F391-0542
  • 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 F391-0542 available by request