D568-0031 Screening compound: 1-(2-fluorobenzoyl)-4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}piperazine

D568-0031 Screening compound: 1-(2-fluorobenzoyl)-4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}piperazine
D568-0031 Screening compound: 1-(2-fluorobenzoyl)-4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D568-0031
1-(2-fluorobenzoyl)-4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}piperazine

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

D568-0031

Molecular Formula

C17H15FN4O2 (C17 H15 FN4 O2)

Compound Name

1-(2-fluorobenzoyl)-4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}piperazine

IUPAC name

1-(2-fluorobenzoyl)-4-{[13]oxazolo[45-b]pyridin-2-yl}piperazine

SMILES

O=C(c(cccc1)c1F)N(CC1)CCN1c1nc(nccc2)c2o1

InChI

InChI=1S/C17H15FN4O2/c18-13-5-2-1-4-12(13)16(23)21-8-10-22(11-9-21)17-20-15-14(24-17)6-3-7-19-15/h1-7H,8-11H2

InChI Key

JOFZJPXWISCQHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.125

Distribution Coefficient, logD

2.125

Water Solubility, LogSw

-2.73

Polar Surface Area

47.674

Acid Dissociation Constant (pKa)

22.96

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D568-0031 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D568-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D568-0031?
Check Price and Availability of D568-0031, 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 D568-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D568-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D568-0031
  • 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 D568-0031 available by request