SC13-0450 Screening compound: N-[1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-[(pyridin-3-yl)methyl]propanamide

SC13-0450 Screening compound: N-[1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-[(pyridin-3-yl)methyl]propanamide
SC13-0450 Screening compound: N-[1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-[(pyridin-3-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC13-0450
N-[1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-[(pyridin-3-yl)methyl]propanamide

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

SC13-0450

Molecular Formula

C22H31N5O2 (C22 H31 N5 O2)

Compound Name

N-[1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-[(pyridin-3-yl)methyl]propanamide

IUPAC name

N-[1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)piperidin-3-yl]-2-methyl-N-[(pyridin-3-yl)methyl]propanamide

SMILES

CCn1nc(C)c(C(N(CCC2)CC2N(Cc2cnccc2)C(C(C)C)=O)=O)c1

InChI

InChI=1S/C22H31N5O2/c1-5-26-15-20(17(4)24-26)22(29)25-11-7-9-19(14-25)27(21(28)16(2)3)13-18-8-6-10-23-12-18/h6,8,10,12,15-16,19H,5,7,9,11,13-14H2,1-4H3/t19-/m0/s1

InChI Key

XKOBPXOVTPUYQI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32256685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.047

Distribution Coefficient, logD

1.046

Water Solubility, LogSw

-1.52

Polar Surface Area

56.456

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

SC13-0450 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SC13-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC13-0450?
Check Price and Availability of SC13-0450, 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 SC13-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC13-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC13-0450
  • 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 SC13-0450 available by request