3930-0168 Screening compound: 3,3,5-trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl 4-bromobenzoate

3930-0168 Screening compound: 3,3,5-trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl 4-bromobenzoate
3930-0168 Screening compound: 3,3,5-trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3930-0168
3,3,5-trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl 4-bromobenzoate

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

3930-0168

Molecular Formula

C21H19BrO4 (C21 H19 BrO4)

Compound Name

3,3,5-trimethyl-6-oxo-2-phenyl-3,6-dihydro-2H-pyran-4-yl 4-bromobenzoate

IUPAC name

335-trimethyl-6-oxo-2-phenyl-36-dihydro-2H-pyran-4-yl 4-bromobenzoate

SMILES

CC(C)(C(c1ccccc1)O1)C(OC(c(cc2)ccc2Br)=O)=C(C)C1=O

InChI

InChI=1S/C21H19BrO4/c1-13-17(25-20(24)15-9-11-16(22)12-10-15)21(2,3)18(26-19(13)23)14-7-5-4-6-8-14/h4-12,18H,1-3H3/t18-/m0/s1

InChI Key

PBQPLSPJDGTYCC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02928860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.641

Distribution Coefficient, logD

5.641

Water Solubility, LogSw

-5.76

Polar Surface Area

42.374

Acid Dissociation Constant (pKa)

26.10

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

3930-0168 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3930-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3930-0168?
Check Price and Availability of 3930-0168, 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 3930-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3930-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3930-0168
  • 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 3930-0168 available by request