E945-0063 Screening compound: 1-{1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carbonyl}-3,5-dimethylpiperidine

E945-0063 Screening compound: 1-{1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carbonyl}-3,5-dimethylpiperidine
E945-0063 Screening compound: 1-{1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carbonyl}-3,5-dimethylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E945-0063
1-{1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carbonyl}-3,5-dimethylpiperidine

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

E945-0063

Molecular Formula

C24H28FN5O2 (C24 H28 FN5 O2)

Compound Name

1-{1-[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carbonyl}-3,5-dimethylpiperidine

IUPAC name

1-{1-[3-(4-fluorophenyl)-[12]oxazolo[54-d]pyrimidin-4-yl]piperidine-3-carbonyl}-35-dimethylpiperidine

SMILES

CC(CC(C)C1)CN1C(C(CCC1)CN1c1c(c(-c(cc2)ccc2F)no2)c2ncn1)=O

InChI

InChI=1S/C24H28FN5O2/c1-15-10-16(2)12-30(11-15)24(31)18-4-3-9-29(13-18)22-20-21(17-5-7-19(25)8-6-17)28-32-23(20)27-14-26-22/h5-8,14-16,18H,3-4,9-13H2,1-2H3

InChI Key

FKMPIXUZJPDRMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.196

Distribution Coefficient, logD

4.196

Water Solubility, LogSw

-4.40

Polar Surface Area

61.983

Acid Dissociation Constant (pKa)

20.79

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

E945-0063 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E945-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E945-0063?
Check Price and Availability of E945-0063, 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 E945-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E945-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E945-0063
  • 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 E945-0063 available by request