F848-0394 Screening compound: 1-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-N,N-dimethyl-1H-1,2,3-benzotriazole-5-sulfonamide

F848-0394 Screening compound: 1-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-N,N-dimethyl-1H-1,2,3-benzotriazole-5-sulfonamide
F848-0394 Screening compound: 1-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-N,N-dimethyl-1H-1,2,3-benzotriazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F848-0394
1-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-N,N-dimethyl-1H-1,2,3-benzotriazole-5-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

F848-0394

Molecular Formula

C22H27ClN6O3S (C22 H27 ClN6 O3 S)

Compound Name

1-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-N,N-dimethyl-1H-1,2,3-benzotriazole-5-sulfonamide

IUPAC name

1-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutyl}-NN-dimethyl-1H-123-benzotriazole-5-sulfonamide

SMILES

CN(C)S(c(cc1)cc2c1n(CCCC(N(CC1)CCN1c1cccc(Cl)c1)=O)nn2)(=O)=O

InChI

InChI=1S/C22H27ClN6O3S/c1-26(2)33(31,32)19-8-9-21-20(16-19)24-25-29(21)10-4-7-22(30)28-13-11-27(12-14-28)18-6-3-5-17(23)15-18/h3,5-6,8-9,15-16H,4,7,10-14H2,1-2H3

InChI Key

QLRSPCGSTZROHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.01

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.087

Distribution Coefficient, logD

2.087

Water Solubility, LogSw

-2.95

Polar Surface Area

78.959

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

F848-0394 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F848-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F848-0394?
Check Price and Availability of F848-0394, 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 F848-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F848-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F848-0394
  • 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 F848-0394 available by request