2774-0147 Screening compound: ethyl 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetate

2774-0147 Screening compound: ethyl 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetate
2774-0147 Screening compound: ethyl 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2774-0147
ethyl 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetate

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

2774-0147

Molecular Formula

C9H13N3O4 (C9 H13 N3 O4)

Compound Name

ethyl 2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetate

IUPAC name

ethyl 2-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)acetate

SMILES

CCOC(Cn1nc(C)c([N+]([O-])=O)c1C)=O

InChI

InChI=1S/C9H13N3O4/c1-4-16-8(13)5-11-7(3)9(12(14)15)6(2)10-11/h4-5H2,1-3H3

InChI Key

XQUYPKGOLQYZRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00658784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

227.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.712

Distribution Coefficient, logD

0.712

Water Solubility, LogSw

-0.49

Polar Surface Area

67.730

Acid Dissociation Constant (pKa)

24.83

Base Dissociation Constant (pKb)

-4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

2774-0147 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2774-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2774-0147?
Check Price and Availability of 2774-0147, 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 2774-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2774-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2774-0147
  • 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 2774-0147 available by request