S923-0945 Screening compound: N,N-dimethyl-3-(1-propanoylpiperidin-2-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-sulfonamide

S923-0945 Screening compound: N,N-dimethyl-3-(1-propanoylpiperidin-2-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-sulfonamide
S923-0945 Screening compound: N,N-dimethyl-3-(1-propanoylpiperidin-2-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S923-0945
N,N-dimethyl-3-(1-propanoylpiperidin-2-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-sulfonamide

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

S923-0945

Molecular Formula

C16H28N6O3S (C16 H28 N6 O3 S)

Compound Name

N,N-dimethyl-3-(1-propanoylpiperidin-2-yl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-sulfonamide

IUPAC name

NN-dimethyl-3-(1-propanoylpiperidin-2-yl)-5H6H7H8H9H-[124]triazolo[43-d][14]diazepine-7-sulfonamide

SMILES

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

InChI

InChI=1S/C16H28N6O3S/c1-4-15(23)21-9-6-5-7-13(21)16-18-17-14-8-10-20(11-12-22(14)16)26(24,25)19(2)3/h13H,4-12H2,1-3H3/t13-/m0/s1

InChI Key

XRQHZIZYHCWECN-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD31959833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.079

Distribution Coefficient, logD

-0.079

Water Solubility, LogSw

-1.05

Polar Surface Area

77.226

Acid Dissociation Constant (pKa)

20.20

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.25

S923-0945 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 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

Therapeutical areas:
  • Nervous system
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 S923-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S923-0945?
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What is the minimum amount of S923-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S923-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S923-0945
  • 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 S923-0945 available by request