F800-0439 Screening compound: 1-[6-(3,4-dimethylbenzenesulfonyl)pyridine-3-carbonyl]-4-(2,5-dimethylphenyl)piperazine

F800-0439 Screening compound: 1-[6-(3,4-dimethylbenzenesulfonyl)pyridine-3-carbonyl]-4-(2,5-dimethylphenyl)piperazine
F800-0439 Screening compound: 1-[6-(3,4-dimethylbenzenesulfonyl)pyridine-3-carbonyl]-4-(2,5-dimethylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F800-0439
1-[6-(3,4-dimethylbenzenesulfonyl)pyridine-3-carbonyl]-4-(2,5-dimethylphenyl)piperazine

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

F800-0439

Molecular Formula

C26H29N3O3S (C26 H29 N3 O3 S)

Compound Name

1-[6-(3,4-dimethylbenzenesulfonyl)pyridine-3-carbonyl]-4-(2,5-dimethylphenyl)piperazine

IUPAC name

1-[6-(34-dimethylbenzenesulfonyl)pyridine-3-carbonyl]-4-(25-dimethylphenyl)piperazine

SMILES

Cc1cc(N(CC2)CCN2C(c(cc2)cnc2S(c2cc(C)c(C)cc2)(=O)=O)=O)c(C)cc1

InChI

InChI=1S/C26H29N3O3S/c1-18-5-6-20(3)24(15-18)28-11-13-29(14-12-28)26(30)22-8-10-25(27-17-22)33(31,32)23-9-7-19(2)21(4)16-23/h5-10,15-17H,11-14H2,1-4H3

InChI Key

LIQUHHJTKNNVLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27191726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.034

Distribution Coefficient, logD

5.034

Water Solubility, LogSw

-4.60

Polar Surface Area

58.259

Acid Dissociation Constant (pKa)

28.12

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

F800-0439 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F800-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F800-0439?
Check Price and Availability of F800-0439, 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 F800-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F800-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F800-0439
  • 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 F800-0439 available by request