S553-0113 Screening compound: 3,5-diethyl 1H-pyrazole-3,5-dicarboxylate

S553-0113 Screening compound: 3,5-diethyl 1H-pyrazole-3,5-dicarboxylate
S553-0113 Screening compound: 3,5-diethyl 1H-pyrazole-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0113
3,5-diethyl 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

S553-0113

Molecular Formula

C9H12N2O4 (C9 H12 N2 O4)

Compound Name

3,5-diethyl 1H-pyrazole-3,5-dicarboxylate

IUPAC name

35-diethyl 1H-pyrazole-35-dicarboxylate

SMILES

CCOC(c1cc(C(OCC)=O)n[nH]1)=O

InChI

InChI=1S/C9H12N2O4/c1-3-14-8(12)6-5-7(11-10-6)9(13)15-4-2/h5H,3-4H2,1-2H3,(H,10,11)

InChI Key

MBWXLICVQZUJOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00152167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

212.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.419

Distribution Coefficient, logD

1.414

Water Solubility, LogSw

-1.85

Polar Surface Area

64.507

Acid Dissociation Constant (pKa)

5.83

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

S553-0113 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S553-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0113?
Check Price and Availability of S553-0113, 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 S553-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0113
  • 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 S553-0113 available by request