E898-2046 Screening compound: methyl 2-(3-{4-oxo-3-phenyl-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl}propanamido)benzoate

E898-2046 Screening compound: methyl 2-(3-{4-oxo-3-phenyl-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl}propanamido)benzoate
E898-2046 Screening compound: methyl 2-(3-{4-oxo-3-phenyl-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl}propanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E898-2046
methyl 2-(3-{4-oxo-3-phenyl-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl}propanamido)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

E898-2046

Molecular Formula

C22H18N4O5 (C22 H18 N4 O5)

Compound Name

methyl 2-(3-{4-oxo-3-phenyl-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl}propanamido)benzoate

IUPAC name

methyl 2-(3-{4-oxo-3-phenyl-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl}propanamido)benzoate

SMILES

COC(c(cccc1)c1NC(CCN(C=Nc1c2c(-c3ccccc3)no1)C2=O)=O)=O

InChI

InChI=1S/C22H18N4O5/c1-30-22(29)15-9-5-6-10-16(15)24-17(27)11-12-26-13-23-20-18(21(26)28)19(25-31-20)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,24,27)

InChI Key

IBXGIYPOYBHOEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.996

Distribution Coefficient, logD

1.942

Water Solubility, LogSw

-2.81

Polar Surface Area

91.306

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

E898-2046 in Drug Discovery

Included in Screening Libraries

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 E898-2046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E898-2046?
Check Price and Availability of E898-2046, 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 E898-2046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E898-2046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E898-2046
  • 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 E898-2046 available by request