3617-2204 Screening compound: propyl 4-[5-(3-nitrophenyl)furan-2-amido]benzoate

3617-2204 Screening compound: propyl 4-[5-(3-nitrophenyl)furan-2-amido]benzoate
3617-2204 Screening compound: propyl 4-[5-(3-nitrophenyl)furan-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3617-2204
propyl 4-[5-(3-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

3617-2204

Molecular Formula

C21H18N2O6 (C21 H18 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

CCCOC(c(cc1)ccc1NC(c1ccc(-c2cccc([N+]([O-])=O)c2)o1)=O)=O

InChI

InChI=1S/C21H18N2O6/c1-2-12-28-21(25)14-6-8-16(9-7-14)22-20(24)19-11-10-18(29-19)15-4-3-5-17(13-15)23(26)27/h3-11,13H,2,12H2,1H3,(H,22,24)

InChI Key

PMIJHBMOMDHWTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02314203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.279

Distribution Coefficient, logD

5.279

Water Solubility, LogSw

-5.30

Polar Surface Area

86.158

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 3617-2204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3617-2204?
Check Price and Availability of 3617-2204, 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 3617-2204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3617-2204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3617-2204
  • 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 3617-2204 available by request