E687-0311 Screening compound: 5-({4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}sulfonyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

E687-0311 Screening compound: 5-({4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}sulfonyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
E687-0311 Screening compound: 5-({4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}sulfonyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E687-0311
5-({4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}sulfonyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

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

E687-0311

Molecular Formula

C21H24N6O5S (C21 H24 N6 O5 S)

Compound Name

5-({4-[3-(2,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}sulfonyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

IUPAC name

5-({4-[3-(24-dimethylphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}sulfonyl)-6-methyl-1234-tetrahydropyrimidine-24-dione

SMILES

Cc(cc1)cc(C)c1-c1n[nH]c(C(N(CC2)CCN2S(C(C(N2)=O)=C(C)NC2=O)(=O)=O)=O)c1

InChI

InChI=1S/C21H24N6O5S/c1-12-4-5-15(13(2)10-12)16-11-17(25-24-16)20(29)26-6-8-27(9-7-26)33(31,32)18-14(3)22-21(30)23-19(18)28/h4-5,10-11H,6-9H2,1-3H3,(H,24,25)(H2,22,23,28,30)

InChI Key

UMCDOXRKTKSLIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.265

Distribution Coefficient, logD

-1.503

Water Solubility, LogSw

-2.54

Polar Surface Area

119.430

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E687-0311 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E687-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E687-0311?
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What is the minimum amount of E687-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E687-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E687-0311
  • 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 E687-0311 available by request