SA67-0002 Screening compound: 5-methyl-3-{2-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazole

SA67-0002 Screening compound: 5-methyl-3-{2-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazole
SA67-0002 Screening compound: 5-methyl-3-{2-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA67-0002
5-methyl-3-{2-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazole

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

SA67-0002

Molecular Formula

C17H27N3O2 (C17 H27 N3 O2)

Compound Name

5-methyl-3-{2-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]ethyl}-1,2,4-oxadiazole

IUPAC name

5-methyl-3-{2-[1-(1-methylcyclohexanecarbonyl)pyrrolidin-3-yl]ethyl}-124-oxadiazole

SMILES

CC1(CCCCC1)C(N1CC(CCc2noc(C)n2)CC1)=O

InChI

InChI=1S/C17H27N3O2/c1-13-18-15(19-22-13)7-6-14-8-11-20(12-14)16(21)17(2)9-4-3-5-10-17/h14H,3-12H2,1-2H3

InChI Key

XLXMFMFNIGNJLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32002004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-2.90

Polar Surface Area

49.274

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

82.35

SA67-0002 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SA67-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA67-0002?
Check Price and Availability of SA67-0002, 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 SA67-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA67-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA67-0002
  • 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 SA67-0002 available by request