C286-0078 Screening compound: ethyl 3-[5-(4-nitrophenyl)furan-2-amido]benzoate

C286-0078 Screening compound: ethyl 3-[5-(4-nitrophenyl)furan-2-amido]benzoate
C286-0078 Screening compound: ethyl 3-[5-(4-nitrophenyl)furan-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C286-0078
ethyl 3-[5-(4-nitrophenyl)furan-2-amido]benzoate

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

C286-0078

Molecular Formula

C20H16N2O6 (C20 H16 N2 O6)

Compound Name

ethyl 3-[5-(4-nitrophenyl)furan-2-amido]benzoate

IUPAC name

ethyl 3-[5-(4-nitrophenyl)furan-2-amido]benzoate

SMILES

CCOC(c1cccc(NC(c2ccc(-c(cc3)ccc3[N+]([O-])=O)o2)=O)c1)=O

InChI

InChI=1S/C20H16N2O6/c1-2-27-20(24)14-4-3-5-15(12-14)21-19(23)18-11-10-17(28-18)13-6-8-16(9-7-13)22(25)26/h3-12H,2H2,1H3,(H,21,23)

InChI Key

VWMZHQFDPWUUCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.023

Distribution Coefficient, logD

5.023

Water Solubility, LogSw

-4.66

Polar Surface Area

85.864

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

-3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C286-0078 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C286-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C286-0078?
Check Price and Availability of C286-0078, 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 C286-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C286-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C286-0078
  • 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 C286-0078 available by request