SC06-0345 Screening compound: 3-{acetyl[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]amino}-N~1~-cyclohexyltetrahydro-1(2H)-pyridinecarboxamide

SC06-0345 Screening compound: 3-{acetyl[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]amino}-N~1~-cyclohexyltetrahydro-1(2H)-pyridinecarboxamide
SC06-0345 Screening compound: 3-{acetyl[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]amino}-N~1~-cyclohexyltetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC06-0345
3-{acetyl[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]amino}-N~1~-cyclohexyltetrahydro-1(2H)-pyridinecarboxamide

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

SC06-0345

Molecular Formula

C21H33N5O3 (C21 H33 N5 O3)

Compound Name

3-{acetyl[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]amino}-N~1~-cyclohexyltetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

N-cyclohexyl-3-{N-[2-(5-cyclopropyl-124-oxadiazol-3-yl)ethyl]acetamido}piperidine-1-carboxamide

SMILES

CC(N(CCc1noc(C2CC2)n1)C(CCC1)CN1C(NC1CCCCC1)=O)=O

InChI

InChI=1S/C21H33N5O3/c1-15(27)26(13-11-19-23-20(29-24-19)16-9-10-16)18-8-5-12-25(14-18)21(28)22-17-6-3-2-4-7-17/h16-18H,2-14H2,1H3,(H,22,28)/t18-/m0/s1

InChI Key

PLNCZUFDTQQCBR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32252924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.007

Distribution Coefficient, logD

3.007

Water Solubility, LogSw

-3.05

Polar Surface Area

75.589

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.95

SC06-0345 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC06-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC06-0345?
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What is the minimum amount of SC06-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC06-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC06-0345
  • 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 SC06-0345 available by request