C614-0288 Screening compound: ethyl 5-{[5-amino-3-(4-bromophenyl)-1H-pyrazol-1-yl]sulfonyl}-3-methyl-1-benzofuran-2-carboxylate

C614-0288 Screening compound: ethyl 5-{[5-amino-3-(4-bromophenyl)-1H-pyrazol-1-yl]sulfonyl}-3-methyl-1-benzofuran-2-carboxylate
C614-0288 Screening compound: ethyl 5-{[5-amino-3-(4-bromophenyl)-1H-pyrazol-1-yl]sulfonyl}-3-methyl-1-benzofuran-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0288
ethyl 5-{[5-amino-3-(4-bromophenyl)-1H-pyrazol-1-yl]sulfonyl}-3-methyl-1-benzofuran-2-carboxylate

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

C614-0288

Molecular Formula

C21H18BrN3O5S (C21 H18 BrN3 O5 S)

Compound Name

ethyl 5-{[5-amino-3-(4-bromophenyl)-1H-pyrazol-1-yl]sulfonyl}-3-methyl-1-benzofuran-2-carboxylate

IUPAC name

ethyl 5-{[5-amino-3-(4-bromophenyl)-1H-pyrazol-1-yl]sulfonyl}-3-methyl-1-benzofuran-2-carboxylate

SMILES

CCOC(c1c(C)c(cc(cc2)S(n(c(N)c3)nc3-c(cc3)ccc3Br)(=O)=O)c2o1)=O

InChI

InChI=1S/C21H18BrN3O5S/c1-3-29-21(26)20-12(2)16-10-15(8-9-18(16)30-20)31(27,28)25-19(23)11-17(24-25)13-4-6-14(22)7-5-13/h4-11H,3,23H2,1-2H3

InChI Key

RGKQFJOWYFXMBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.093

Distribution Coefficient, logD

5.093

Water Solubility, LogSw

-5.04

Polar Surface Area

89.475

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

-6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C614-0288 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 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
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C614-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0288?
Check Price and Availability of C614-0288, 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 C614-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0288
  • 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 C614-0288 available by request