E687-0256 Screening compound: 1-[(5-bromothiophen-2-yl)sulfonyl]-4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazine

E687-0256 Screening compound: 1-[(5-bromothiophen-2-yl)sulfonyl]-4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazine
E687-0256 Screening compound: 1-[(5-bromothiophen-2-yl)sulfonyl]-4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E687-0256
1-[(5-bromothiophen-2-yl)sulfonyl]-4-[3-(3,4-dimethylphenyl)-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

E687-0256

Molecular Formula

C20H21BrN4O3S2 (C20 H21 BrN4 O3 S2)

Compound Name

1-[(5-bromothiophen-2-yl)sulfonyl]-4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazine

IUPAC name

1-[(5-bromothiophen-2-yl)sulfonyl]-4-[3-(34-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazine

SMILES

Cc(cc1)c(C)cc1-c1n[nH]c(C(N(CC2)CCN2S(c(s2)ccc2Br)(=O)=O)=O)c1

InChI

InChI=1S/C20H21BrN4O3S2/c1-13-3-4-15(11-14(13)2)16-12-17(23-22-16)20(26)24-7-9-25(10-8-24)30(27,28)19-6-5-18(21)29-19/h3-6,11-12H,7-10H2,1-2H3,(H,22,23)

InChI Key

IFYJJOJXUUJGCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.45

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

4.530

Distribution Coefficient, logD

4.530

Water Solubility, LogSw

-4.16

Polar Surface Area

71.914

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E687-0256 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 E687-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E687-0256?
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What is the minimum amount of E687-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E687-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E687-0256
  • 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 E687-0256 available by request