SC06-0531 Screening compound: N~1~-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N~1~-{1-[(5-methyl-3-pyridyl)carbonyl]-3-piperidyl}acetamide

SC06-0531 Screening compound: N~1~-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N~1~-{1-[(5-methyl-3-pyridyl)carbonyl]-3-piperidyl}acetamide
SC06-0531 Screening compound: N~1~-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N~1~-{1-[(5-methyl-3-pyridyl)carbonyl]-3-piperidyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC06-0531
N~1~-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N~1~-{1-[(5-methyl-3-pyridyl)carbonyl]-3-piperidyl}acetamide

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

SC06-0531

Molecular Formula

C22H31N5O3 (C22 H31 N5 O3)

Compound Name

N~1~-[2-(5-isobutyl-1,2,4-oxadiazol-3-yl)ethyl]-N~1~-{1-[(5-methyl-3-pyridyl)carbonyl]-3-piperidyl}acetamide

IUPAC name

N-{2-[5-(2-methylpropyl)-124-oxadiazol-3-yl]ethyl}-N-[1-(5-methylpyridine-3-carbonyl)piperidin-3-yl]acetamide

SMILES

CC(C)Cc1nc(CCN(C(CCC2)CN2C(c2cncc(C)c2)=O)C(C)=O)no1

InChI

InChI=1S/C22H31N5O3/c1-15(2)10-21-24-20(25-30-21)7-9-27(17(4)28)19-6-5-8-26(14-19)22(29)18-11-16(3)12-23-13-18/h11-13,15,19H,5-10,14H2,1-4H3/t19-/m0/s1

InChI Key

STLAPIMQPNDNEO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32253692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.984

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-1.99

Polar Surface Area

74.743

Acid Dissociation Constant (pKa)

24.94

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

SC06-0531 in Drug Discovery

Included in Screening Libraries

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 SC06-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC06-0531?
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What is the minimum amount of SC06-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC06-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC06-0531
  • 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 SC06-0531 available by request