SC13-0037 Screening compound: N-[(pyridin-3-yl)methyl]-N-[1-(thiophene-2-sulfonyl)piperidin-3-yl]cyclobutanecarboxamide

SC13-0037 Screening compound: N-[(pyridin-3-yl)methyl]-N-[1-(thiophene-2-sulfonyl)piperidin-3-yl]cyclobutanecarboxamide
SC13-0037 Screening compound: N-[(pyridin-3-yl)methyl]-N-[1-(thiophene-2-sulfonyl)piperidin-3-yl]cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC13-0037
N-[(pyridin-3-yl)methyl]-N-[1-(thiophene-2-sulfonyl)piperidin-3-yl]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

SC13-0037

Molecular Formula

C20H25N3O3S2 (C20 H25 N3 O3 S2)

Compound Name

N-[(pyridin-3-yl)methyl]-N-[1-(thiophene-2-sulfonyl)piperidin-3-yl]cyclobutanecarboxamide

IUPAC name

N-[(pyridin-3-yl)methyl]-N-[1-(thiophene-2-sulfonyl)piperidin-3-yl]cyclobutanecarboxamide

SMILES

O=C(C1CCC1)N(Cc1cnccc1)C(CCC1)CN1S(c1cccs1)(=O)=O

InChI

InChI=1S/C20H25N3O3S2/c24-20(17-6-1-7-17)23(14-16-5-2-10-21-13-16)18-8-3-11-22(15-18)28(25,26)19-9-4-12-27-19/h2,4-5,9-10,12-13,17-18H,1,3,6-8,11,14-15H2/t18-/m0/s1

InChI Key

ZNVXOHDWUDTBNX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32254926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.523

Distribution Coefficient, logD

1.522

Water Solubility, LogSw

-1.71

Polar Surface Area

57.934

Acid Dissociation Constant (pKa)

23.62

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SC13-0037 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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 SC13-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC13-0037?
Check Price and Availability of SC13-0037, 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 SC13-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC13-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC13-0037
  • 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 SC13-0037 available by request