E139-0545 Screening compound: methyl 4-{4-oxo-3H,4H,5H-chromeno[2,3-d]pyrimidin-2-yl}benzoate

E139-0545 Screening compound: methyl 4-{4-oxo-3H,4H,5H-chromeno[2,3-d]pyrimidin-2-yl}benzoate
E139-0545 Screening compound: methyl 4-{4-oxo-3H,4H,5H-chromeno[2,3-d]pyrimidin-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E139-0545
methyl 4-{4-oxo-3H,4H,5H-chromeno[2,3-d]pyrimidin-2-yl}benzoate

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

E139-0545

Molecular Formula

C19H14N2O4 (C19 H14 N2 O4)

Compound Name

methyl 4-{4-oxo-3H,4H,5H-chromeno[2,3-d]pyrimidin-2-yl}benzoate

IUPAC name

methyl 4-{4-oxo-3H4H5H-chromeno[23-d]pyrimidin-2-yl}benzoate

SMILES

COC(c(cc1)ccc1C(N1)=NC(Oc2c(C3)cccc2)=C3C1=O)=O

InChI

InChI=1S/C19H14N2O4/c1-24-19(23)12-8-6-11(7-9-12)16-20-17(22)14-10-13-4-2-3-5-15(13)25-18(14)21-16/h2-9H,10H2,1H3,(H,20,21,22)

InChI Key

BSEFRJJXYSQCDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

3.101

Water Solubility, LogSw

-3.70

Polar Surface Area

63.891

Acid Dissociation Constant (pKa)

7.63

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

E139-0545 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E139-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E139-0545?
Check Price and Availability of E139-0545, 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 E139-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E139-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E139-0545
  • 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 E139-0545 available by request