E687-0295 Screening compound: 1-(4-tert-butylbenzenesulfonyl)-4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazine

E687-0295 Screening compound: 1-(4-tert-butylbenzenesulfonyl)-4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazine
E687-0295 Screening compound: 1-(4-tert-butylbenzenesulfonyl)-4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E687-0295
1-(4-tert-butylbenzenesulfonyl)-4-[3-(2,4-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

E687-0295

Molecular Formula

C26H32N4O3S (C26 H32 N4 O3 S)

Compound Name

1-(4-tert-butylbenzenesulfonyl)-4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazine

IUPAC name

1-(4-tert-butylbenzenesulfonyl)-4-[3-(24-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazine

SMILES

CC(C)(C)c(cc1)ccc1S(N(CC1)CCN1C(c1cc(-c2c(C)cc(C)cc2)n[nH]1)=O)(=O)=O

InChI

InChI=1S/C26H32N4O3S/c1-18-6-11-22(19(2)16-18)23-17-24(28-27-23)25(31)29-12-14-30(15-13-29)34(32,33)21-9-7-20(8-10-21)26(3,4)5/h6-11,16-17H,12-15H2,1-5H3,(H,27,28)

InChI Key

ZVERYJPDSMIKBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.628

Distribution Coefficient, logD

5.628

Water Solubility, LogSw

-5.37

Polar Surface Area

70.895

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

E687-0295 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E687-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E687-0295?
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What is the minimum amount of E687-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E687-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E687-0295
  • 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 E687-0295 available by request