E687-0339 Screening compound: 1-(4-bromobenzenesulfonyl)-4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazine

E687-0339 Screening compound: 1-(4-bromobenzenesulfonyl)-4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazine
E687-0339 Screening compound: 1-(4-bromobenzenesulfonyl)-4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E687-0339
1-(4-bromobenzenesulfonyl)-4-[3-(4-bromophenyl)-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

E687-0339

Molecular Formula

C20H18Br2N4O3S (C20 H18 Br2 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(-c(cc2)ccc2Br)n[nH]1)N(CC1)CCN1S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C20H18Br2N4O3S/c21-15-3-1-14(2-4-15)18-13-19(24-23-18)20(27)25-9-11-26(12-10-25)30(28,29)17-7-5-16(22)6-8-17/h1-8,13H,9-12H2,(H,23,24)

InChI Key

NMNWZTPQYFOUMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

4.806

Water Solubility, LogSw

-4.86

Polar Surface Area

70.895

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E687-0339 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E687-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E687-0339?
Check Price and Availability of E687-0339, 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 E687-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E687-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E687-0339
  • 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 E687-0339 available by request