R152-2819 Screening compound: 6-methoxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbaldehyde

R152-2819 Screening compound: 6-methoxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbaldehyde
R152-2819 Screening compound: 6-methoxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound R152-2819
6-methoxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbaldehyde

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

R152-2819

Molecular Formula

C13H14O4 (C13 H14 O4)

Compound Name

6-methoxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-3-carbaldehyde

IUPAC name

6-methoxy-22-dimethyl-4-oxo-34-dihydro-2H-1-benzopyran-3-carbaldehyde

SMILES

CC(C)(C1C=O)Oc(ccc(OC)c2)c2C1=O

InChI

InChI=1S/C13H14O4/c1-13(2)10(7-14)12(15)9-6-8(16-3)4-5-11(9)17-13/h4-7,10H,1-3H3/t10-/m0/s1

InChI Key

GPHRKCYLXTYLNI-JTQLQIEISA-N

MDL Number (MFCD)

MFCD15141792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.898

Distribution Coefficient, logD

1.637

Water Solubility, LogSw

-2.57

Polar Surface Area

42.036

Acid Dissociation Constant (pKa)

7.49

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

R152-2819 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with R152-2819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R152-2819?
Check Price and Availability of R152-2819, 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 R152-2819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R152-2819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R152-2819
  • 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 R152-2819 available by request