E139-0345 Screening compound: 7-bromo-9-methoxy-2-(2,3,4-trimethoxyphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidin-4-one

E139-0345 Screening compound: 7-bromo-9-methoxy-2-(2,3,4-trimethoxyphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidin-4-one
E139-0345 Screening compound: 7-bromo-9-methoxy-2-(2,3,4-trimethoxyphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E139-0345
7-bromo-9-methoxy-2-(2,3,4-trimethoxyphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidin-4-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

E139-0345

Molecular Formula

C21H19BrN2O6 (C21 H19 BrN2 O6)

Compound Name

7-bromo-9-methoxy-2-(2,3,4-trimethoxyphenyl)-3H,4H,5H-chromeno[2,3-d]pyrimidin-4-one

IUPAC name

7-bromo-9-methoxy-2-(234-trimethoxyphenyl)-3H4H5H-chromeno[23-d]pyrimidin-4-one

SMILES

COc(ccc(C(N1)=NC(Oc(c(C2)cc(Br)c3)c3OC)=C2C1=O)c1OC)c1OC

InChI

InChI=1S/C21H19BrN2O6/c1-26-14-6-5-12(17(28-3)18(14)29-4)19-23-20(25)13-8-10-7-11(22)9-15(27-2)16(10)30-21(13)24-19/h5-7,9H,8H2,1-4H3,(H,23,24,25)

InChI Key

YEEMQQSQTIRGIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14841837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.519

Distribution Coefficient, logD

3.212

Water Solubility, LogSw

-3.78

Polar Surface Area

73.096

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E139-0345 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 E139-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E139-0345?
Check Price and Availability of E139-0345, 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 E139-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E139-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E139-0345
  • 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 E139-0345 available by request