0168-0336 Screening compound: 1,4-diethyl 2,3-diacetylbutanedioate

0168-0336 Screening compound: 1,4-diethyl 2,3-diacetylbutanedioate
0168-0336 Screening compound: 1,4-diethyl 2,3-diacetylbutanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0168-0336
1,4-diethyl 2,3-diacetylbutanedioate

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

0168-0336

Molecular Formula

C12H18O6 (C12 H18 O6)

Compound Name

1,4-diethyl 2,3-diacetylbutanedioate

IUPAC name

14-diethyl 23-diacetylbutanedioate

SMILES

CCOC(C(C(C(C)=O)C(OCC)=O)C(C)=O)=O

InChI

InChI=1S/C12H18O6/c1-5-17-11(15)9(7(3)13)10(8(4)14)12(16)18-6-2/h9-10H,5-6H2,1-4H3

InChI Key

GJEDSIHWCPPJFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00222737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.27

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.672

Distribution Coefficient, logD

0.672

Water Solubility, LogSw

-0.22

Polar Surface Area

69.671

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

0168-0336 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0168-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0168-0336?
Check Price and Availability of 0168-0336, 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 0168-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0168-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0168-0336
  • 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 0168-0336 available by request