SA85-0918 Screening compound: 2-(3-{[6-hydroxy-4-(2-methoxyethyl)-3-oxo-1,4-diazepan-1-yl]carbonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione

SA85-0918 Screening compound: 2-(3-{[6-hydroxy-4-(2-methoxyethyl)-3-oxo-1,4-diazepan-1-yl]carbonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione
SA85-0918 Screening compound: 2-(3-{[6-hydroxy-4-(2-methoxyethyl)-3-oxo-1,4-diazepan-1-yl]carbonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SA85-0918
2-(3-{[6-hydroxy-4-(2-methoxyethyl)-3-oxo-1,4-diazepan-1-yl]carbonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione

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

SA85-0918

Molecular Formula

C19H27N3O6S (C19 H27 N3 O6 S)

Compound Name

2-(3-{[6-hydroxy-4-(2-methoxyethyl)-3-oxo-1,4-diazepan-1-yl]carbonyl}phenyl)-1lambda~6~,2-thiazinane-1,1-dione

IUPAC name

2-{3-[6-hydroxy-4-(2-methoxyethyl)-3-oxo-14-diazepane-1-carbonyl]phenyl}-1lambda62-thiazinane-11-dione

SMILES

COCCN(CC(CN(C1)C(c2cccc(N(CCCC3)S3(=O)=O)c2)=O)O)C1=O

InChI

InChI=1S/C19H27N3O6S/c1-28-9-8-20-12-17(23)13-21(14-18(20)24)19(25)15-5-4-6-16(11-15)22-7-2-3-10-29(22,26)27/h4-6,11,17,23H,2-3,7-10,12-14H2,1H3/t17-/m0/s1

InChI Key

VVORTCXYOSHYLZ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32243251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.009

Distribution Coefficient, logD

-1.009

Water Solubility, LogSw

-1.89

Polar Surface Area

89.706

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

SA85-0918 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA85-0918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA85-0918?
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What is the minimum amount of SA85-0918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA85-0918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA85-0918
  • 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 SA85-0918 available by request