D567-0047 Screening compound: 3,3-dimethyl-1-(4-{[1,3]oxazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butan-1-one

D567-0047 Screening compound: 3,3-dimethyl-1-(4-{[1,3]oxazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butan-1-one
D567-0047 Screening compound: 3,3-dimethyl-1-(4-{[1,3]oxazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D567-0047
3,3-dimethyl-1-(4-{[1,3]oxazolo[5,4-b]pyridin-2-yl}piperazin-1-yl)butan-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

D567-0047

Molecular Formula

C16H22N4O2 (C16 H22 N4 O2)

Compound Name

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

IUPAC name

33-dimethyl-1-(4-{[13]oxazolo[54-b]pyridin-2-yl}piperazin-1-yl)butan-1-one

SMILES

CC(C)(C)CC(N(CC1)CCN1c1nc(cccn2)c2o1)=O

InChI

InChI=1S/C16H22N4O2/c1-16(2,3)11-13(21)19-7-9-20(10-8-19)15-18-12-5-4-6-17-14(12)22-15/h4-6H,7-11H2,1-3H3

InChI Key

PSFQHFIODKKNIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.38

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

2.287

Distribution Coefficient, logD

2.287

Water Solubility, LogSw

-2.29

Polar Surface Area

46.265

Acid Dissociation Constant (pKa)

23.11

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

D567-0047 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 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 D567-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D567-0047?
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What is the minimum amount of D567-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D567-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D567-0047
  • 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 D567-0047 available by request