F848-0390 Screening compound: N,N-dimethyl-1-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-1H-1,2,3-benzotriazole-5-sulfonamide

F848-0390 Screening compound: N,N-dimethyl-1-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-1H-1,2,3-benzotriazole-5-sulfonamide
F848-0390 Screening compound: N,N-dimethyl-1-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-1H-1,2,3-benzotriazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F848-0390
N,N-dimethyl-1-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-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

F848-0390

Molecular Formula

C22H28N6O3S (C22 H28 N6 O3 S)

Compound Name

N,N-dimethyl-1-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-1H-1,2,3-benzotriazole-5-sulfonamide

IUPAC name

NN-dimethyl-1-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-1H-123-benzotriazole-5-sulfonamide

SMILES

CN(C)S(c(cc1)cc2c1n(CCCC(N(CC1)CCN1c1ccccc1)=O)nn2)(=O)=O

InChI

InChI=1S/C22H28N6O3S/c1-25(2)32(30,31)19-10-11-21-20(17-19)23-24-28(21)12-6-9-22(29)27-15-13-26(14-16-27)18-7-4-3-5-8-18/h3-5,7-8,10-11,17H,6,9,12-16H2,1-2H3

InChI Key

AXGFJHNDEMNQBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

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

1.503

Distribution Coefficient, logD

1.503

Water Solubility, LogSw

-2.44

Polar Surface Area

78.959

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

F848-0390 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F848-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F848-0390?
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What is the minimum amount of F848-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F848-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F848-0390
  • 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 F848-0390 available by request