SA53-0278 Screening compound: 4-benzyl-N,N-dimethyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide

SA53-0278 Screening compound: 4-benzyl-N,N-dimethyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide
SA53-0278 Screening compound: 4-benzyl-N,N-dimethyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA53-0278
4-benzyl-N,N-dimethyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide

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

SA53-0278

Molecular Formula

C18H26N6O (C18 H26 N6 O)

Compound Name

4-benzyl-N,N-dimethyl-3-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepane-1-carboxamide

IUPAC name

4-benzyl-NN-dimethyl-3-(3-methyl-1H-124-triazol-5-yl)-14-diazepane-1-carboxamide

SMILES

Cc1n[nH]c(C(C2)N(Cc3ccccc3)CCCN2C(N(C)C)=O)n1

InChI

InChI=1S/C18H26N6O/c1-14-19-17(21-20-14)16-13-24(18(25)22(2)3)11-7-10-23(16)12-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-13H2,1-3H3,(H,19,20,21)/t16-/m0/s1

InChI Key

QYBFWRRSTTZFLJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32238997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.542

Distribution Coefficient, logD

1.136

Water Solubility, LogSw

-1.86

Polar Surface Area

55.107

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

7.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SA53-0278 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CORONAVIRUS Library (20774 compounds)

Soluble Diversity Library (15920 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA53-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA53-0278?
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What is the minimum amount of SA53-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA53-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA53-0278
  • 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 SA53-0278 available by request