SC13-0653 Screening compound: N-cyclohexyl-3-{N-[(pyridin-3-yl)methyl]acetamido}piperidine-1-carboxamide

SC13-0653 Screening compound: N-cyclohexyl-3-{N-[(pyridin-3-yl)methyl]acetamido}piperidine-1-carboxamide
SC13-0653 Screening compound: N-cyclohexyl-3-{N-[(pyridin-3-yl)methyl]acetamido}piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC13-0653
N-cyclohexyl-3-{N-[(pyridin-3-yl)methyl]acetamido}piperidine-1-carboxamide

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

SC13-0653

Molecular Formula

C20H30N4O2 (C20 H30 N4 O2)

Compound Name

N-cyclohexyl-3-{N-[(pyridin-3-yl)methyl]acetamido}piperidine-1-carboxamide

IUPAC name

N-cyclohexyl-3-{N-[(pyridin-3-yl)methyl]acetamido}piperidine-1-carboxamide

SMILES

CC(N(Cc1cnccc1)C(CCC1)CN1C(NC1CCCCC1)=O)=O

InChI

InChI=1S/C20H30N4O2/c1-16(25)24(14-17-7-5-11-21-13-17)19-10-6-12-23(15-19)20(26)22-18-8-3-2-4-9-18/h5,7,11,13,18-19H,2-4,6,8-10,12,14-15H2,1H3,(H,22,26)/t19-/m0/s1

InChI Key

JFUSVUPERWFLFL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32256571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.787

Distribution Coefficient, logD

1.787

Water Solubility, LogSw

-1.55

Polar Surface Area

51.938

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

SC13-0653 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 SC13-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC13-0653?
Check Price and Availability of SC13-0653, 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 SC13-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC13-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC13-0653
  • 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 SC13-0653 available by request