5107-0163 Screening compound: 3,5-diethyl 4-(4-bromo-1-methyl-1H-pyrazole-5-amido)-1-phenyl-1H-pyrazole-3,5-dicarboxylate

5107-0163 Screening compound: 3,5-diethyl 4-(4-bromo-1-methyl-1H-pyrazole-5-amido)-1-phenyl-1H-pyrazole-3,5-dicarboxylate
5107-0163 Screening compound: 3,5-diethyl 4-(4-bromo-1-methyl-1H-pyrazole-5-amido)-1-phenyl-1H-pyrazole-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5107-0163
3,5-diethyl 4-(4-bromo-1-methyl-1H-pyrazole-5-amido)-1-phenyl-1H-pyrazole-3,5-dicarboxylate

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

5107-0163

Molecular Formula

C20H20BrN5O5 (C20 H20 BrN5 O5)

Compound Name

3,5-diethyl 4-(4-bromo-1-methyl-1H-pyrazole-5-amido)-1-phenyl-1H-pyrazole-3,5-dicarboxylate

IUPAC name

35-diethyl 4-(4-bromo-1-methyl-1H-pyrazole-5-amido)-1-phenyl-1H-pyrazole-35-dicarboxylate

SMILES

CCOC(c(n(-c1ccccc1)nc1C(OCC)=O)c1NC(c(n(C)nc1)c1Br)=O)=O

InChI

InChI=1S/C20H20BrN5O5/c1-4-30-19(28)15-14(23-18(27)16-13(21)11-22-25(16)3)17(20(29)31-5-2)26(24-15)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,23,27)

InChI Key

XEVPMVLITVWCOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04209400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.31

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.048

Distribution Coefficient, logD

-2.687

Water Solubility, LogSw

-2.47

Polar Surface Area

90.598

Acid Dissociation Constant (pKa)

2.66

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5107-0163 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5107-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5107-0163?
Check Price and Availability of 5107-0163, 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 5107-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5107-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5107-0163
  • 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 5107-0163 available by request