8019-6738 Screening compound: 3-(4,5-dimethoxy-2-nitrophenyl)pentanedioic acid

8019-6738 Screening compound: 3-(4,5-dimethoxy-2-nitrophenyl)pentanedioic acid
8019-6738 Screening compound: 3-(4,5-dimethoxy-2-nitrophenyl)pentanedioic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6738
3-(4,5-dimethoxy-2-nitrophenyl)pentanedioic acid

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

8019-6738

Molecular Formula

C13H15NO8 (C13 H15 NO8)

Compound Name

3-(4,5-dimethoxy-2-nitrophenyl)pentanedioic acid

IUPAC name

3-(45-dimethoxy-2-nitrophenyl)pentanedioic acid

SMILES

COc(c(OC)c1)cc(C(CC(O)=O)CC(O)=O)c1[N+]([O-])=O

InChI

InChI=1S/C13H15NO8/c1-21-10-5-8(7(3-12(15)16)4-13(17)18)9(14(19)20)6-11(10)22-2/h5-7H,3-4H2,1-2H3,(H,15,16)(H,17,18)

InChI Key

YMKNYHIMOZLIIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.26

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.677

Distribution Coefficient, logD

-3.735

Water Solubility, LogSw

-0.98

Polar Surface Area

105.348

Acid Dissociation Constant (pKa)

4.34

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 8019-6738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6738?
Check Price and Availability of 8019-6738, 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 8019-6738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6738
  • 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 8019-6738 available by request