4213-0138 Screening compound: 5-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

4213-0138 Screening compound: 5-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
4213-0138 Screening compound: 5-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4213-0138
5-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

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

4213-0138

Molecular Formula

C13H10Cl2O4 (C13 H10 Cl2 O4)

Compound Name

5-[(2,4-dichlorophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

IUPAC name

5-[(24-dichlorophenyl)methylidene]-22-dimethyl-13-dioxane-46-dione

SMILES

CC(C)(OC(C1=Cc(ccc(Cl)c2)c2Cl)=O)OC1=O

InChI

InChI=1S/C13H10Cl2O4/c1-13(2)18-11(16)9(12(17)19-13)5-7-3-4-8(14)6-10(7)15/h3-6H,1-2H3

InChI Key

JZBIQVXAMASBFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00113487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.13

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.639

Distribution Coefficient, logD

3.639

Water Solubility, LogSw

-3.84

Polar Surface Area

41.444

Acid Dissociation Constant (pKa)

30.68

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4213-0138 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 4213-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4213-0138?
Check Price and Availability of 4213-0138, 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 4213-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4213-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4213-0138
  • 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 4213-0138 available by request