5556-0200 Screening compound: 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate

5556-0200 Screening compound: 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate
5556-0200 Screening compound: 3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5556-0200
3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate

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

5556-0200

Molecular Formula

C26H22O7 (C26 H22 O7)

Compound Name

3-benzyl-2-oxo-2H-chromen-4-yl 3,4,5-trimethoxybenzoate

IUPAC name

3-benzyl-2-oxo-2H-chromen-4-yl 345-trimethoxybenzoate

SMILES

COc1cc(C(OC(c(cccc2)c2O2)=C(Cc3ccccc3)C2=O)=O)cc(OC)c1OC

InChI

InChI=1S/C26H22O7/c1-29-21-14-17(15-22(30-2)24(21)31-3)25(27)33-23-18-11-7-8-12-20(18)32-26(28)19(23)13-16-9-5-4-6-10-16/h4-12,14-15H,13H2,1-3H3

InChI Key

HOSHSTFTAHGRNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03659897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.139

Distribution Coefficient, logD

4.139

Water Solubility, LogSw

-4.60

Polar Surface Area

64.562

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

5556-0200 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5556-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5556-0200?
Check Price and Availability of 5556-0200, 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 5556-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5556-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5556-0200
  • 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 5556-0200 available by request