4213-0056 Screening compound: 2-methyl-5-[(5-methylfuran-2-yl)(4-nitrophenyl)methyl]furan

4213-0056 Screening compound: 2-methyl-5-[(5-methylfuran-2-yl)(4-nitrophenyl)methyl]furan
4213-0056 Screening compound: 2-methyl-5-[(5-methylfuran-2-yl)(4-nitrophenyl)methyl]furan alternative view

Chemical Structure Depiction of ChemDiv screening compound 4213-0056
2-methyl-5-[(5-methylfuran-2-yl)(4-nitrophenyl)methyl]furan

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

4213-0056

Molecular Formula

C17H15NO4 (C17 H15 NO4)

Compound Name

2-methyl-5-[(5-methylfuran-2-yl)(4-nitrophenyl)methyl]furan

IUPAC name

2-methyl-5-[(5-methylfuran-2-yl)(4-nitrophenyl)methyl]furan

SMILES

Cc1ccc(C(c2ccc(C)o2)c(cc2)ccc2[N+]([O-])=O)o1

InChI

InChI=1S/C17H15NO4/c1-11-3-9-15(21-11)17(16-10-4-12(2)22-16)13-5-7-14(8-6-13)18(19)20/h3-10,17H,1-2H3

InChI Key

BRZPYEQKKPNOFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.781

Distribution Coefficient, logD

4.781

Water Solubility, LogSw

-4.73

Polar Surface Area

49.262

Acid Dissociation Constant (pKa)

32.01

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

4213-0056 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4213-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4213-0056?
Check Price and Availability of 4213-0056, 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 4213-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4213-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4213-0056
  • 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 4213-0056 available by request