3317-0135 Screening compound: 3-[(3-bromo-5-ethoxy-4-hydroxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one

3317-0135 Screening compound: 3-[(3-bromo-5-ethoxy-4-hydroxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one
3317-0135 Screening compound: 3-[(3-bromo-5-ethoxy-4-hydroxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3317-0135
3-[(3-bromo-5-ethoxy-4-hydroxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one

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

3317-0135

Molecular Formula

C27H19BrO8 (C27 H19 BrO8)

Compound Name

3-[(3-bromo-5-ethoxy-4-hydroxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one

IUPAC name

3-[(3-bromo-5-ethoxy-4-hydroxyphenyl)(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-4-hydroxy-2H-chromen-2-one

SMILES

CCOc1cc(C(C(C(Oc2c3cccc2)=O)=C3O)C(C(Oc2c3cccc2)=O)=C3O)cc(Br)c1O

InChI

InChI=1S/C27H19BrO8/c1-2-34-19-12-13(11-16(28)25(19)31)20(21-23(29)14-7-3-5-9-17(14)35-26(21)32)22-24(30)15-8-4-6-10-18(15)36-27(22)33/h3-12,20,29-31H,2H2,1H3

InChI Key

FCWNIQDAGWMEDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03015685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

1.041

Water Solubility, LogSw

-3.96

Polar Surface Area

94.370

Acid Dissociation Constant (pKa)

4.54

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3317-0135 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3317-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3317-0135?
Check Price and Availability of 3317-0135, 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 3317-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3317-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3317-0135
  • 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 3317-0135 available by request