SC13-0130 Screening compound: N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-piperidyl}-N-(3-pyridylmethyl)-1-cyclobutanecarboxamide

SC13-0130 Screening compound: N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-piperidyl}-N-(3-pyridylmethyl)-1-cyclobutanecarboxamide
SC13-0130 Screening compound: N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-piperidyl}-N-(3-pyridylmethyl)-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC13-0130
N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-piperidyl}-N-(3-pyridylmethyl)-1-cyclobutanecarboxamide

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

SC13-0130

Molecular Formula

C22H30N4O2 (C22 H30 N4 O2)

Compound Name

N-{1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-piperidyl}-N-(3-pyridylmethyl)-1-cyclobutanecarboxamide

IUPAC name

N-{1-[(35-dimethyl-12-oxazol-4-yl)methyl]piperidin-3-yl}-N-[(pyridin-3-yl)methyl]cyclobutanecarboxamide

SMILES

Cc1noc(C)c1CN(CCC1)CC1N(Cc1cnccc1)C(C1CCC1)=O

InChI

InChI=1S/C22H30N4O2/c1-16-21(17(2)28-24-16)15-25-11-5-9-20(14-25)26(22(27)19-7-3-8-19)13-18-6-4-10-23-12-18/h4,6,10,12,19-20H,3,5,7-9,11,13-15H2,1-2H3/t20-/m0/s1

InChI Key

JPEYHEDEGMTFLN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32254182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.309

Distribution Coefficient, logD

0.195

Water Solubility, LogSw

-0.93

Polar Surface Area

50.976

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

SC13-0130 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with SC13-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC13-0130?
Check Price and Availability of SC13-0130, 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 SC13-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC13-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC13-0130
  • 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 SC13-0130 available by request