D568-0504 Screening compound: 1-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}-4-(2-phenylcyclopropanecarbonyl)piperazine

D568-0504 Screening compound: 1-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}-4-(2-phenylcyclopropanecarbonyl)piperazine
D568-0504 Screening compound: 1-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}-4-(2-phenylcyclopropanecarbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D568-0504
1-{5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl}-4-(2-phenylcyclopropanecarbonyl)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

D568-0504

Molecular Formula

C21H22N4O2 (C21 H22 N4 O2)

Compound Name

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

IUPAC name

1-{5-methyl-[13]oxazolo[45-b]pyridin-2-yl}-4-(2-phenylcyclopropanecarbonyl)piperazine

SMILES

Cc(cc1)nc2c1oc(N(CC1)CCN1C(C(C1)C1c1ccccc1)=O)n2

InChI

InChI=1S/C21H22N4O2/c1-14-7-8-18-19(22-14)23-21(27-18)25-11-9-24(10-12-25)20(26)17-13-16(17)15-5-3-2-4-6-15/h2-8,16-17H,9-13H2,1H3

InChI Key

JHNSEHHQTPCXGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14833688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

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

3.452

Distribution Coefficient, logD

3.452

Water Solubility, LogSw

-3.27

Polar Surface Area

47.300

Acid Dissociation Constant (pKa)

18.37

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

D568-0504 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D568-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D568-0504?
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What is the minimum amount of D568-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D568-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D568-0504
  • 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 D568-0504 available by request