R052-2299 Screening compound: methyl (2E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate

R052-2299 Screening compound: methyl (2E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate
R052-2299 Screening compound: methyl (2E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound R052-2299
methyl (2E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate

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

R052-2299

Molecular Formula

C15H20O4 (C15 H20 O4)

Compound Name

methyl (2E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate

IUPAC name

methyl (2E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]prop-2-enoate

SMILES

CC(C)COc(ccc(/C=C/C(OC)=O)c1)c1OC

InChI

InChI=1S/C15H20O4/c1-11(2)10-19-13-7-5-12(9-14(13)17-3)6-8-15(16)18-4/h5-9,11H,10H2,1-4H3

InChI Key

IVUHCIYXBNXHME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03834493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.788

Distribution Coefficient, logD

3.788

Water Solubility, LogSw

-4.03

Polar Surface Area

36.033

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

R052-2299 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Pool
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with R052-2299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R052-2299?
Check Price and Availability of R052-2299, 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 R052-2299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R052-2299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R052-2299
  • 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 R052-2299 available by request