5008-0019 Screening compound: 2-[bis(5-methylfuran-2-yl)methyl]-4-methyl-6-nitrophenol

5008-0019 Screening compound: 2-[bis(5-methylfuran-2-yl)methyl]-4-methyl-6-nitrophenol
5008-0019 Screening compound: 2-[bis(5-methylfuran-2-yl)methyl]-4-methyl-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5008-0019
2-[bis(5-methylfuran-2-yl)methyl]-4-methyl-6-nitrophenol

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

5008-0019

Molecular Formula

C18H17NO5 (C18 H17 NO5)

Compound Name

2-[bis(5-methylfuran-2-yl)methyl]-4-methyl-6-nitrophenol

IUPAC name

2-[bis(5-methylfuran-2-yl)methyl]-4-methyl-6-nitrophenol

SMILES

Cc1ccc(C(c2ccc(C)o2)c2cc(C)cc([N+]([O-])=O)c2O)o1

InChI

InChI=1S/C18H17NO5/c1-10-8-13(18(20)14(9-10)19(21)22)17(15-6-4-11(2)23-15)16-7-5-12(3)24-16/h4-9,17,20H,1-3H3

InChI Key

GMEXVTITDABLEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00740495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.243

Distribution Coefficient, logD

5.180

Water Solubility, LogSw

-5.04

Polar Surface Area

64.440

Acid Dissociation Constant (pKa)

8.21

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

5008-0019 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5008-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5008-0019?
Check Price and Availability of 5008-0019, 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 5008-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5008-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5008-0019
  • 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 5008-0019 available by request