1763-0544 Screening compound: 5-nitro-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

1763-0544 Screening compound: 5-nitro-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
1763-0544 Screening compound: 5-nitro-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1763-0544
5-nitro-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

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

1763-0544

Molecular Formula

C12H7F3N2O4 (C12 H7 F3 N2 O4)

Compound Name

5-nitro-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

IUPAC name

5-nitro-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide

SMILES

[O-][N+](c1ccc(C(Nc2cccc(C(F)(F)F)c2)=O)o1)=O

InChI

InChI=1S/C12H7F3N2O4/c13-12(14,15)7-2-1-3-8(6-7)16-11(18)9-4-5-10(21-9)17(19)20/h1-6H,(H,16,18)

InChI Key

XRYAGGCLDGQPOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00218087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.19

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.279

Distribution Coefficient, logD

3.170

Water Solubility, LogSw

-3.69

Polar Surface Area

65.990

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

1763-0544 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1763-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1763-0544?
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What is the minimum amount of 1763-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1763-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1763-0544
  • 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 1763-0544 available by request