E898-0183 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-2-[3-(4-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide

E898-0183 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-2-[3-(4-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
E898-0183 Screening compound: N-{3-[butyl(ethyl)amino]propyl}-2-[3-(4-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E898-0183
N-{3-[butyl(ethyl)amino]propyl}-2-[3-(4-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide

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

E898-0183

Molecular Formula

C22H28FN5O3 (C22 H28 FN5 O3)

Compound Name

N-{3-[butyl(ethyl)amino]propyl}-2-[3-(4-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide

IUPAC name

N-{3-[butyl(ethyl)amino]propyl}-2-[3-(4-fluorophenyl)-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl]acetamide

SMILES

CCCCN(CC)CCCNC(CN(C=Nc1c2c(-c(cc3)ccc3F)no1)C2=O)=O

InChI

InChI=1S/C22H28FN5O3/c1-3-5-12-27(4-2)13-6-11-24-18(29)14-28-15-25-21-19(22(28)30)20(26-31-21)16-7-9-17(23)10-8-16/h7-10,15H,3-6,11-14H2,1-2H3,(H,24,29)

InChI Key

XVRYLDDKUHJKCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14926459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.935

Distribution Coefficient, logD

-0.816

Water Solubility, LogSw

-2.62

Polar Surface Area

75.951

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

10.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

E898-0183 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E898-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E898-0183?
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What is the minimum amount of E898-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E898-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E898-0183
  • 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 E898-0183 available by request