8018-0879 Screening compound: ethyl 2-(3-{[2-(2,4-difluorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)acetate

8018-0879 Screening compound: ethyl 2-(3-{[2-(2,4-difluorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)acetate
8018-0879 Screening compound: ethyl 2-(3-{[2-(2,4-difluorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0879
ethyl 2-(3-{[2-(2,4-difluorophenoxy)acetyl]amino}-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

8018-0879

Molecular Formula

C15H15F2N3O4 (C15 H15 F2 N3 O4)

Compound Name

ethyl 2-(3-{[2-(2,4-difluorophenoxy)acetyl]amino}-1H-pyrazol-1-yl)acetate

IUPAC name

ethyl 2-{3-[2-(24-difluorophenoxy)acetamido]-1H-pyrazol-1-yl}acetate

SMILES

CCOC(Cn(cc1)nc1NC(COc(ccc(F)c1)c1F)=O)=O

InChI

InChI=1S/C15H15F2N3O4/c1-2-23-15(22)8-20-6-5-13(19-20)18-14(21)9-24-12-4-3-10(16)7-11(12)17/h3-7H,2,8-9H2,1H3,(H,18,19,21)

InChI Key

GSHAXXLVZFNTAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.652

Distribution Coefficient, logD

1.650

Water Solubility, LogSw

-2.36

Polar Surface Area

66.088

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

8018-0879 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0879?
Check Price and Availability of 8018-0879, 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 8018-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0879
  • 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 8018-0879 available by request