E687-0051 Screening compound: 5-({4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}sulfonyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

E687-0051 Screening compound: 5-({4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}sulfonyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
E687-0051 Screening compound: 5-({4-[3-(4-methoxyphenyl)-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 E687-0051
5-({4-[3-(4-methoxyphenyl)-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

E687-0051

Molecular Formula

C20H22N6O6S (C20 H22 N6 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(NC1=O)=O)=C1S(N(CC1)CCN1C(c1cc(-c(cc2)ccc2OC)n[nH]1)=O)(=O)=O

InChI

InChI=1S/C20H22N6O6S/c1-12-17(18(27)22-20(29)21-12)33(30,31)26-9-7-25(8-10-26)19(28)16-11-15(23-24-16)13-3-5-14(32-2)6-4-13/h3-6,11H,7-10H2,1-2H3,(H,23,24)(H2,21,22,27,29)

InChI Key

GKECJGPEPAVGOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.5

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.552

Distribution Coefficient, logD

-2.215

Water Solubility, LogSw

-2.46

Polar Surface Area

126.973

Acid Dissociation Constant (pKa)

4.63

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E687-0051 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E687-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E687-0051?
Check Price and Availability of E687-0051, 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 E687-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E687-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E687-0051
  • 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 E687-0051 available by request