E898-2154 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-3-{4-oxo-3-phenyl-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl}propanamide

E898-2154 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-3-{4-oxo-3-phenyl-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl}propanamide
E898-2154 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-3-{4-oxo-3-phenyl-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E898-2154
N-[(5-bromo-2-methoxyphenyl)methyl]-3-{4-oxo-3-phenyl-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl}propanamide

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

E898-2154

Molecular Formula

C22H19BrN4O4 (C22 H19 BrN4 O4)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-3-{4-oxo-3-phenyl-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl}propanamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-3-{4-oxo-3-phenyl-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl}propanamide

SMILES

COc(cc1)c(CNC(CCN(C=Nc2c3c(-c4ccccc4)no2)C3=O)=O)cc1Br

InChI

InChI=1S/C22H19BrN4O4/c1-30-17-8-7-16(23)11-15(17)12-24-18(28)9-10-27-13-25-21-19(22(27)29)20(26-31-21)14-5-3-2-4-6-14/h2-8,11,13H,9-10,12H2,1H3,(H,24,28)

InChI Key

QZEIEHSYPJAVHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27093388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.865

Distribution Coefficient, logD

2.865

Water Solubility, LogSw

-3.39

Polar Surface Area

79.782

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E898-2154 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E898-2154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E898-2154?
Check Price and Availability of E898-2154, 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 E898-2154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E898-2154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E898-2154
  • 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 E898-2154 available by request