C599-1072 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,6-dimethylpiperidine

C599-1072 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,6-dimethylpiperidine
C599-1072 Screening compound: 1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,6-dimethylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-1072
1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,6-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

C599-1072

Molecular Formula

C18H25N3O3 (C18 H25 N3 O3)

Compound Name

1-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,6-dimethylpiperidine

IUPAC name

1-{[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}-26-dimethylpiperidine

SMILES

CC1N(Cc2nc(-c(cc3)cc(OC)c3OC)no2)C(C)CCC1

InChI

InChI=1S/C18H25N3O3/c1-12-6-5-7-13(2)21(12)11-17-19-18(20-24-17)14-8-9-15(22-3)16(10-14)23-4/h8-10,12-13H,5-7,11H2,1-4H3

InChI Key

IVQNNXPHXLZQCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06752220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.399

Distribution Coefficient, logD

3.360

Water Solubility, LogSw

-3.58

Polar Surface Area

49.130

Acid Dissociation Constant (pKa)

27.67

Base Dissociation Constant (pKb)

6.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

C599-1072 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C599-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-1072?
Check Price and Availability of C599-1072, 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 C599-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-1072
  • 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 C599-1072 available by request