3453-0636 Screening compound: 3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl butanoate

3453-0636 Screening compound: 3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl butanoate
3453-0636 Screening compound: 3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-0636
3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl butanoate

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

3453-0636

Molecular Formula

C20H18O5 (C20 H18 O5)

Compound Name

3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl butanoate

IUPAC name

3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl butanoate

SMILES

CCCC(Oc(cc1)cc(OC=C2c(cccc3)c3OC)c1C2=O)=O

InChI

InChI=1S/C20H18O5/c1-3-6-19(21)25-13-9-10-15-18(11-13)24-12-16(20(15)22)14-7-4-5-8-17(14)23-2/h4-5,7-12H,3,6H2,1-2H3

InChI Key

LALBBQUKLKLXNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02071854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

3.509

Water Solubility, LogSw

-3.93

Polar Surface Area

48.545

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3453-0636 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3453-0636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-0636?
Check Price and Availability of 3453-0636, 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 3453-0636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-0636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-0636
  • 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 3453-0636 available by request