D567-0045 Screening compound: 2-(3-fluorophenyl)-1-(4-{[1,3]oxazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)ethan-1-one

D567-0045 Screening compound: 2-(3-fluorophenyl)-1-(4-{[1,3]oxazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)ethan-1-one
D567-0045 Screening compound: 2-(3-fluorophenyl)-1-(4-{[1,3]oxazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D567-0045
2-(3-fluorophenyl)-1-(4-{[1,3]oxazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)ethan-1-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

D567-0045

Molecular Formula

C18H17FN4O2 (C18 H17 FN4 O2)

Compound Name

2-(3-fluorophenyl)-1-(4-{[1,3]oxazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)ethan-1-one

IUPAC name

2-(3-fluorophenyl)-1-(4-{[13]oxazolo[54-b]pyridin-2-yl}piperazin-1-yl)ethan-1-one

SMILES

O=C(Cc1cccc(F)c1)N(CC1)CCN1c1nc(cccn2)c2o1

InChI

InChI=1S/C18H17FN4O2/c19-14-4-1-3-13(11-14)12-16(24)22-7-9-23(10-8-22)18-21-15-5-2-6-20-17(15)25-18/h1-6,11H,7-10,12H2

InChI Key

IKIVGFNMVIXUSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.257

Distribution Coefficient, logD

2.257

Water Solubility, LogSw

-2.48

Polar Surface Area

45.994

Acid Dissociation Constant (pKa)

17.82

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D567-0045 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D567-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D567-0045?
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What is the minimum amount of D567-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D567-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D567-0045
  • 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 D567-0045 available by request