SA85-0831 Screening compound: 4-(2,6-dimethoxypyridine-3-carbonyl)-6-hydroxy-1-(2-methoxyethyl)-1,4-diazepan-2-one

SA85-0831 Screening compound: 4-(2,6-dimethoxypyridine-3-carbonyl)-6-hydroxy-1-(2-methoxyethyl)-1,4-diazepan-2-one
SA85-0831 Screening compound: 4-(2,6-dimethoxypyridine-3-carbonyl)-6-hydroxy-1-(2-methoxyethyl)-1,4-diazepan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA85-0831
4-(2,6-dimethoxypyridine-3-carbonyl)-6-hydroxy-1-(2-methoxyethyl)-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

SA85-0831

Molecular Formula

C16H23N3O6 (C16 H23 N3 O6)

Compound Name

4-(2,6-dimethoxypyridine-3-carbonyl)-6-hydroxy-1-(2-methoxyethyl)-1,4-diazepan-2-one

IUPAC name

4-(26-dimethoxypyridine-3-carbonyl)-6-hydroxy-1-(2-methoxyethyl)-14-diazepan-2-one

SMILES

COCCN(CC(CN(C1)C(c(ccc(OC)n2)c2OC)=O)O)C1=O

InChI

InChI=1S/C16H23N3O6/c1-23-7-6-18-8-11(20)9-19(10-14(18)21)16(22)12-4-5-13(24-2)17-15(12)25-3/h4-5,11,20H,6-10H2,1-3H3/t11-/m1/s1

InChI Key

ZBMRGQMJOMKPAH-LLVKDONJSA-N

MDL Number (MFCD)

MFCD32242892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.031

Distribution Coefficient, logD

0.031

Water Solubility, LogSw

-2.17

Polar Surface Area

82.398

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

SA85-0831 in Drug Discovery

Included in Screening Libraries

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 SA85-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA85-0831?
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What is the minimum amount of SA85-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA85-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA85-0831
  • 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 SA85-0831 available by request