8020-2270 Screening compound: 3,5-diethyl 4-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3,5-dicarboxylate

8020-2270 Screening compound: 3,5-diethyl 4-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3,5-dicarboxylate
8020-2270 Screening compound: 3,5-diethyl 4-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2270
3,5-diethyl 4-amino-1-[3-(trifluoromethyl)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

8020-2270

Molecular Formula

C16H16F3N3O4 (C16 H16 F3 N3 O4)

Compound Name

3,5-diethyl 4-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3,5-dicarboxylate

IUPAC name

35-diethyl 4-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-35-dicarboxylate

SMILES

CCOC(c(n(-c1cccc(C(F)(F)F)c1)nc1C(OCC)=O)c1N)=O

InChI

InChI=1S/C16H16F3N3O4/c1-3-25-14(23)12-11(20)13(15(24)26-4-2)22(21-12)10-7-5-6-9(8-10)16(17,18)19/h5-8H,3-4,20H2,1-2H3

InChI Key

LFBGHJURGWYRJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11983323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.946

Distribution Coefficient, logD

2.946

Water Solubility, LogSw

-3.19

Polar Surface Area

74.773

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

8020-2270 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8020-2270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2270?
Check Price and Availability of 8020-2270, 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 8020-2270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2270
  • 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 8020-2270 available by request