S923-1026 Screening compound: 1-{2-[7-(1-ethyl-1H-pyrazole-3-carbonyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one

S923-1026 Screening compound: 1-{2-[7-(1-ethyl-1H-pyrazole-3-carbonyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one
S923-1026 Screening compound: 1-{2-[7-(1-ethyl-1H-pyrazole-3-carbonyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S923-1026
1-{2-[7-(1-ethyl-1H-pyrazole-3-carbonyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one

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

S923-1026

Molecular Formula

C20H29N7O2 (C20 H29 N7 O2)

Compound Name

1-{2-[7-(1-ethyl-1H-pyrazole-3-carbonyl)-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one

IUPAC name

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

SMILES

CCC(N(CCCC1)C1c1nnc(CC2)n1CCN2C(c1nn(CC)cc1)=O)=O

InChI

InChI=1S/C20H29N7O2/c1-3-18(28)26-10-6-5-7-16(26)19-22-21-17-9-11-24(13-14-27(17)19)20(29)15-8-12-25(4-2)23-15/h8,12,16H,3-7,9-11,13-14H2,1-2H3/t16-/m0/s1

InChI Key

RLQWZELBUKXQJL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31959895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.217

Distribution Coefficient, logD

0.217

Water Solubility, LogSw

-1.25

Polar Surface Area

72.190

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S923-1026 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 S923-1026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S923-1026?
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What is the minimum amount of S923-1026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S923-1026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S923-1026
  • 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 S923-1026 available by request