C590-0340 Screening compound: 1-(4-bromobenzenesulfonyl)-4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazine

C590-0340 Screening compound: 1-(4-bromobenzenesulfonyl)-4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazine
C590-0340 Screening compound: 1-(4-bromobenzenesulfonyl)-4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C590-0340
1-(4-bromobenzenesulfonyl)-4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]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

C590-0340

Molecular Formula

C21H21BrN4O4S (C21 H21 BrN4 O4 S)

Compound Name

1-(4-bromobenzenesulfonyl)-4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazine

IUPAC name

1-(4-bromobenzenesulfonyl)-4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazine

SMILES

COc1cccc(-c2n[nH]c(C(N(CC3)CCN3S(c(cc3)ccc3Br)(=O)=O)=O)c2)c1

InChI

InChI=1S/C21H21BrN4O4S/c1-30-17-4-2-3-15(13-17)19-14-20(24-23-19)21(27)25-9-11-26(12-10-25)31(28,29)18-7-5-16(22)6-8-18/h2-8,13-14H,9-12H2,1H3,(H,23,24)

InChI Key

XSIUWUYBFMZSSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.912

Distribution Coefficient, logD

3.911

Water Solubility, LogSw

-4.04

Polar Surface Area

78.439

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C590-0340 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C590-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C590-0340?
Check Price and Availability of C590-0340, 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 C590-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C590-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C590-0340
  • 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 C590-0340 available by request