0133-0064 Screening compound: 1,4-diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate

0133-0064 Screening compound: 1,4-diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate
0133-0064 Screening compound: 1,4-diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0064
1,4-diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate

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

0133-0064

Molecular Formula

C12H14O6 (C12 H14 O6)

Compound Name

1,4-diethyl 2,5-dihydroxybenzene-1,4-dicarboxylate

IUPAC name

14-diethyl 25-dihydroxybenzene-14-dicarboxylate

SMILES

CCOC(c(c(O)c1)cc(O)c1C(OCC)=O)=O

InChI

InChI=1S/C12H14O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h5-6,13-14H,3-4H2,1-2H3

InChI Key

UQOUOXLHXPHDHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00055430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.097

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-2.83

Polar Surface Area

74.842

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 0133-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0064?
Check Price and Availability of 0133-0064, 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 0133-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0064
  • 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 0133-0064 available by request