SA20-0426 Screening compound: 3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-1-(2,3-dihydro-1H-indene-5-sulfonyl)-N,N-dimethylpiperidin-3-amine

SA20-0426 Screening compound: 3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-1-(2,3-dihydro-1H-indene-5-sulfonyl)-N,N-dimethylpiperidin-3-amine
SA20-0426 Screening compound: 3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-1-(2,3-dihydro-1H-indene-5-sulfonyl)-N,N-dimethylpiperidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA20-0426
3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-1-(2,3-dihydro-1H-indene-5-sulfonyl)-N,N-dimethylpiperidin-3-amine

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

SA20-0426

Molecular Formula

C22H32N6O2S (C22 H32 N6 O2 S)

Compound Name

3-(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)-1-(2,3-dihydro-1H-indene-5-sulfonyl)-N,N-dimethylpiperidin-3-amine

IUPAC name

3-(1-cyclopentyl-1H-1234-tetrazol-5-yl)-1-(23-dihydro-1H-indene-5-sulfonyl)-NN-dimethylpiperidin-3-amine

SMILES

CN(C)C(CCC1)(CN1S(c1cc(CCC2)c2cc1)(=O)=O)c1nnnn1C1CCCC1

InChI

InChI=1S/C22H32N6O2S/c1-26(2)22(21-23-24-25-28(21)19-9-3-4-10-19)13-6-14-27(16-22)31(29,30)20-12-11-17-7-5-8-18(17)15-20/h11-12,15,19H,3-10,13-14,16H2,1-2H3/t22-/m0/s1

InChI Key

YRPIHVGCGXPTJE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD31998061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.333

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-3.62

Polar Surface Area

73.866

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

SA20-0426 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA20-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA20-0426?
Check Price and Availability of SA20-0426, 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 SA20-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA20-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA20-0426
  • 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 SA20-0426 available by request