E945-0147 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide

E945-0147 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
E945-0147 Screening compound: N-[(2,5-dimethoxyphenyl)methyl]-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E945-0147
N-[(2,5-dimethoxyphenyl)methyl]-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide

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

E945-0147

Molecular Formula

C26H26FN5O4 (C26 H26 FN5 O4)

Compound Name

N-[(2,5-dimethoxyphenyl)methyl]-1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide

IUPAC name

N-[(25-dimethoxyphenyl)methyl]-1-[3-(4-fluorophenyl)-[12]oxazolo[54-d]pyrimidin-4-yl]piperidine-3-carboxamide

SMILES

COc(cc1)cc(CNC(C(CCC2)CN2c2c(c(-c(cc3)ccc3F)no3)c3ncn2)=O)c1OC

InChI

InChI=1S/C26H26FN5O4/c1-34-20-9-10-21(35-2)18(12-20)13-28-25(33)17-4-3-11-32(14-17)24-22-23(16-5-7-19(27)8-6-16)31-36-26(22)30-15-29-24/h5-10,12,15,17H,3-4,11,13-14H2,1-2H3,(H,28,33)/t17-/m0/s1

InChI Key

HOONHCYLJKRTBO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14929318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.686

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-4.10

Polar Surface Area

85.056

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

E945-0147 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E945-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E945-0147?
Check Price and Availability of E945-0147, 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 E945-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E945-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E945-0147
  • 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 E945-0147 available by request