F800-0412 Screening compound: 6-(3,4-dimethylbenzenesulfonyl)-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide

F800-0412 Screening compound: 6-(3,4-dimethylbenzenesulfonyl)-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
F800-0412 Screening compound: 6-(3,4-dimethylbenzenesulfonyl)-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F800-0412
6-(3,4-dimethylbenzenesulfonyl)-N-[(3-methoxyphenyl)methyl]pyridine-3-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

F800-0412

Molecular Formula

C22H22N2O4S (C22 H22 N2 O4 S)

Compound Name

6-(3,4-dimethylbenzenesulfonyl)-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide

IUPAC name

6-(34-dimethylbenzenesulfonyl)-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide

SMILES

Cc(cc1)c(C)cc1S(c(cc1)ncc1C(NCc1cc(OC)ccc1)=O)(=O)=O

InChI

InChI=1S/C22H22N2O4S/c1-15-7-9-20(11-16(15)2)29(26,27)21-10-8-18(14-23-21)22(25)24-13-17-5-4-6-19(12-17)28-3/h4-12,14H,13H2,1-3H3,(H,24,25)

InChI Key

IDTBEAOGXLAVPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

4.027

Water Solubility, LogSw

-4.07

Polar Surface Area

70.609

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F800-0412 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F800-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F800-0412?
Check Price and Availability of F800-0412, 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 F800-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F800-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F800-0412
  • 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 F800-0412 available by request