E910-0047 Screening compound: 5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

E910-0047 Screening compound: 5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
E910-0047 Screening compound: 5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E910-0047
5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4H,5H-[1,2]oxazolo[5,4-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

E910-0047

Molecular Formula

C26H25FN4O3 (C26 H25 FN4 O3)

Compound Name

5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

IUPAC name

5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-(4-fluorophenyl)-4H5H-[12]oxazolo[54-d]pyrimidin-4-one

SMILES

O=C(CCN(C=Nc1c2c(-c(cc3)ccc3F)no1)C2=O)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C26H25FN4O3/c27-21-8-6-20(7-9-21)24-23-25(34-29-24)28-17-31(26(23)33)15-12-22(32)30-13-10-19(11-14-30)16-18-4-2-1-3-5-18/h1-9,17,19H,10-16H2

InChI Key

VDTXYMZTFFQUPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14927112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.523

Distribution Coefficient, logD

3.523

Water Solubility, LogSw

-3.83

Polar Surface Area

63.801

Acid Dissociation Constant (pKa)

23.94

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

E910-0047 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E910-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E910-0047?
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What is the minimum amount of E910-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E910-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E910-0047
  • 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 E910-0047 available by request