8020-1853 Screening compound: 2,4-diethyl 3-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2,4-dicarboxylate

8020-1853 Screening compound: 2,4-diethyl 3-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2,4-dicarboxylate
8020-1853 Screening compound: 2,4-diethyl 3-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1853
2,4-diethyl 3-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2,4-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

8020-1853

Molecular Formula

C17H17F3N2O4 (C17 H17 F3 N2 O4)

Compound Name

2,4-diethyl 3-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2,4-dicarboxylate

IUPAC name

24-diethyl 3-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-24-dicarboxylate

SMILES

CCOC(c(c(N)c1C(OCC)=O)cn1-c1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C17H17F3N2O4/c1-3-25-15(23)12-9-22(14(13(12)21)16(24)26-4-2)11-7-5-6-10(8-11)17(18,19)20/h5-9H,3-4,21H2,1-2H3

InChI Key

ZLUKPLULPZUPHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11983314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.740

Distribution Coefficient, logD

3.740

Water Solubility, LogSw

-4.06

Polar Surface Area

62.849

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

8020-1853 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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 8020-1853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1853?
Check Price and Availability of 8020-1853, 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 8020-1853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1853
  • 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 8020-1853 available by request