3483-0465 Screening compound: 1,4-dimethyl 2,3-diphenylbutanedioate

3483-0465 Screening compound: 1,4-dimethyl 2,3-diphenylbutanedioate
3483-0465 Screening compound: 1,4-dimethyl 2,3-diphenylbutanedioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3483-0465
1,4-dimethyl 2,3-diphenylbutanedioate

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

3483-0465

Molecular Formula

C18H18O4 (C18 H18 O4)

Compound Name

1,4-dimethyl 2,3-diphenylbutanedioate

IUPAC name

14-dimethyl 23-diphenylbutanedioate

SMILES

COC(C(C(C(OC)=O)c1ccccc1)c1ccccc1)=O

InChI

InChI=1S/C18H18O4/c1-21-17(19)15(13-9-5-3-6-10-13)16(18(20)22-2)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3

InChI Key

JFIQBXWLKNJROM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00224115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.513

Distribution Coefficient, logD

3.513

Water Solubility, LogSw

-3.42

Polar Surface Area

42.315

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

3483-0465 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3483-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3483-0465?
Check Price and Availability of 3483-0465, 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 3483-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3483-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3483-0465
  • 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 3483-0465 available by request