F391-0169 Screening compound: 3-[(3,4-dimethylphenyl)(methyl)sulfamoyl]-4-phenyl-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide

F391-0169 Screening compound: 3-[(3,4-dimethylphenyl)(methyl)sulfamoyl]-4-phenyl-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide
F391-0169 Screening compound: 3-[(3,4-dimethylphenyl)(methyl)sulfamoyl]-4-phenyl-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F391-0169
3-[(3,4-dimethylphenyl)(methyl)sulfamoyl]-4-phenyl-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

F391-0169

Molecular Formula

C26H25N3O3S2 (C26 H25 N3 O3 S2)

Compound Name

3-[(3,4-dimethylphenyl)(methyl)sulfamoyl]-4-phenyl-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide

IUPAC name

3-[(34-dimethylphenyl)(methyl)sulfamoyl]-4-phenyl-N-[(pyridin-3-yl)methyl]thiophene-2-carboxamide

SMILES

Cc(cc1)c(C)cc1N(C)S(c1c(C(NCc2cnccc2)=O)scc1-c1ccccc1)(=O)=O

InChI

InChI=1S/C26H25N3O3S2/c1-18-11-12-22(14-19(18)2)29(3)34(31,32)25-23(21-9-5-4-6-10-21)17-33-24(25)26(30)28-16-20-8-7-13-27-15-20/h4-15,17H,16H2,1-3H3,(H,28,30)

InChI Key

YMLNLSFLENQIBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14953709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

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

5.048

Distribution Coefficient, logD

5.048

Water Solubility, LogSw

-4.43

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

15.40

F391-0169 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 F391-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F391-0169?
Check Price and Availability of F391-0169, 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 F391-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F391-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F391-0169
  • 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 F391-0169 available by request