8012-2503 Screening compound: methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate

8012-2503 Screening compound: methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate
8012-2503 Screening compound: methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2503
methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate

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

8012-2503

Molecular Formula

C14H18O4 (C14 H18 O4)

Compound Name

methyl 4-(5,5-dimethyl-1,3-dioxan-2-yl)benzoate

IUPAC name

methyl 4-(55-dimethyl-13-dioxan-2-yl)benzoate

SMILES

CC1(C)COC(c(cc2)ccc2C(OC)=O)OC1

InChI

InChI=1S/C14H18O4/c1-14(2)8-17-13(18-9-14)11-6-4-10(5-7-11)12(15)16-3/h4-7,13H,8-9H2,1-3H3

InChI Key

DSOROOVTTRZHBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02934401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.611

Distribution Coefficient, logD

2.611

Water Solubility, LogSw

-2.62

Polar Surface Area

38.824

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8012-2503 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

GABA Library (7115 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8012-2503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2503?
Check Price and Availability of 8012-2503, 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 8012-2503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2503
  • 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 8012-2503 available by request