S923-0972 Screening compound: 1-{2-[7-(methylsulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidino}-1-propanone

S923-0972 Screening compound: 1-{2-[7-(methylsulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidino}-1-propanone
S923-0972 Screening compound: 1-{2-[7-(methylsulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidino}-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S923-0972
1-{2-[7-(methylsulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidino}-1-propanone

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

S923-0972

Molecular Formula

C15H25N5O3S (C15 H25 N5 O3 S)

Compound Name

1-{2-[7-(methylsulfonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidino}-1-propanone

IUPAC name

1-(2-{7-methanesulfonyl-5H6H7H8H9H-[124]triazolo[43-d][14]diazepin-3-yl}piperidin-1-yl)propan-1-one

SMILES

CCC(N(CCCC1)C1c1nnc(CC2)n1CCN2S(C)(=O)=O)=O

InChI

InChI=1S/C15H25N5O3S/c1-3-14(21)19-8-5-4-6-12(19)15-17-16-13-7-9-18(24(2,22)23)10-11-20(13)15/h12H,3-11H2,1-2H3/t12-/m0/s1

InChI Key

AUYDCPXAQSPELI-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.001

Distribution Coefficient, logD

0.001

Water Solubility, LogSw

-1.15

Polar Surface Area

72.632

Acid Dissociation Constant (pKa)

20.51

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.00

S923-0972 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S923-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S923-0972?
Check Price and Availability of S923-0972, 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 S923-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S923-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S923-0972
  • 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 S923-0972 available by request