SA53-0919 Screening compound: 1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one

SA53-0919 Screening compound: 1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one
SA53-0919 Screening compound: 1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA53-0919
1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(3,5-dimethyl-1H-pyrazol-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

SA53-0919

Molecular Formula

C23H29N7O2 (C23 H29 N7 O2)

Compound Name

1-[4-benzoyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl]-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-1-one

IUPAC name

1-[4-benzoyl-3-(3-methyl-1H-124-triazol-5-yl)-14-diazepan-1-yl]-3-(35-dimethyl-1H-pyrazol-1-yl)propan-1-one

SMILES

Cc1cc(C)nn1CCC(N(CCC1)CC(c2nc(C)n[nH]2)N1C(c1ccccc1)=O)=O

InChI

InChI=1S/C23H29N7O2/c1-16-14-17(2)30(27-16)13-10-21(31)28-11-7-12-29(23(32)19-8-5-4-6-9-19)20(15-28)22-24-18(3)25-26-22/h4-6,8-9,14,20H,7,10-13,15H2,1-3H3,(H,24,25,26)/t20-/m0/s1

InChI Key

MNUSZLFYDCSHFK-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD32001801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.597

Distribution Coefficient, logD

0.596

Water Solubility, LogSw

-1.87

Polar Surface Area

80.157

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

SA53-0919 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with SA53-0919 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA53-0919?
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What is the minimum amount of SA53-0919 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA53-0919
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA53-0919
  • 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 SA53-0919 available by request