SA85-0298 Screening compound: 6-hydroxy-4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-1-(2-methylpropyl)-1,4-diazepan-2-one

SA85-0298 Screening compound: 6-hydroxy-4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-1-(2-methylpropyl)-1,4-diazepan-2-one
SA85-0298 Screening compound: 6-hydroxy-4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-1-(2-methylpropyl)-1,4-diazepan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA85-0298
6-hydroxy-4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-1-(2-methylpropyl)-1,4-diazepan-2-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

SA85-0298

Molecular Formula

C18H25N5O4 (C18 H25 N5 O4)

Compound Name

6-hydroxy-4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl}-1-(2-methylpropyl)-1,4-diazepan-2-one

IUPAC name

6-hydroxy-4-{5-methyl-4-[(1H-pyrazol-1-yl)methyl]-12-oxazole-3-carbonyl}-1-(2-methylpropyl)-14-diazepan-2-one

SMILES

CC(C)CN(CC(CN(C1)C(c2noc(C)c2Cn2nccc2)=O)O)C1=O

InChI

InChI=1S/C18H25N5O4/c1-12(2)7-21-8-14(24)9-22(11-16(21)25)18(26)17-15(13(3)27-20-17)10-23-6-4-5-19-23/h4-6,12,14,24H,7-11H2,1-3H3/t14-/m1/s1

InChI Key

BZRXFOGGLIFRAP-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32242753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.020

Distribution Coefficient, logD

-0.020

Water Solubility, LogSw

-0.11

Polar Surface Area

86.471

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

SA85-0298 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)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA85-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA85-0298?
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What is the minimum amount of SA85-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA85-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA85-0298
  • 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 SA85-0298 available by request