SA85-0962 Screening compound: 4-(2-bromo-5-methoxybenzoyl)-6-hydroxy-1-(2-phenylethyl)-1,4-diazepan-2-one

SA85-0962 Screening compound: 4-(2-bromo-5-methoxybenzoyl)-6-hydroxy-1-(2-phenylethyl)-1,4-diazepan-2-one
SA85-0962 Screening compound: 4-(2-bromo-5-methoxybenzoyl)-6-hydroxy-1-(2-phenylethyl)-1,4-diazepan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA85-0962
4-(2-bromo-5-methoxybenzoyl)-6-hydroxy-1-(2-phenylethyl)-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

SA85-0962

Molecular Formula

C21H23BrN2O4 (C21 H23 BrN2 O4)

Compound Name

4-(2-bromo-5-methoxybenzoyl)-6-hydroxy-1-(2-phenylethyl)-1,4-diazepan-2-one

IUPAC name

4-(2-bromo-5-methoxybenzoyl)-6-hydroxy-1-(2-phenylethyl)-14-diazepan-2-one

SMILES

COc(cc1)cc(C(N(CC(CN2CCc3ccccc3)O)CC2=O)=O)c1Br

InChI

InChI=1S/C21H23BrN2O4/c1-28-17-7-8-19(22)18(11-17)21(27)24-13-16(25)12-23(20(26)14-24)10-9-15-5-3-2-4-6-15/h2-8,11,16,25H,9-10,12-14H2,1H3/t16-/m0/s1

InChI Key

OHZKAHKETQXJSN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32243256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.216

Distribution Coefficient, logD

2.216

Water Solubility, LogSw

-3.00

Polar Surface Area

56.967

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

SA85-0962 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA85-0962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA85-0962?
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What is the minimum amount of SA85-0962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA85-0962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA85-0962
  • 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 SA85-0962 available by request