S232-1995 Screening compound: 4-{1-[(pyridin-4-yl)methyl]-decahydropyrido[3,4-e][1,4]oxazepine-8-carbonyl}-1H-indole

S232-1995 Screening compound: 4-{1-[(pyridin-4-yl)methyl]-decahydropyrido[3,4-e][1,4]oxazepine-8-carbonyl}-1H-indole
S232-1995 Screening compound: 4-{1-[(pyridin-4-yl)methyl]-decahydropyrido[3,4-e][1,4]oxazepine-8-carbonyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound S232-1995
4-{1-[(pyridin-4-yl)methyl]-decahydropyrido[3,4-e][1,4]oxazepine-8-carbonyl}-1H-indole

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

S232-1995

Molecular Formula

C23H26N4O2 (C23 H26 N4 O2)

Compound Name

4-{1-[(pyridin-4-yl)methyl]-decahydropyrido[3,4-e][1,4]oxazepine-8-carbonyl}-1H-indole

IUPAC name

4-[(5aS9aS)-1-[(pyridin-4-yl)methyl]-decahydropyrido[34-e][14]oxazepine-8-carbonyl]-1H-indole

SMILES

O=C(c1c(cc[nH]2)c2ccc1)N1C[C@@H]2N(Cc3ccncc3)CCOC[C@@H]2CC1

InChI

InChI=1S/C23H26N4O2/c28-23(20-2-1-3-21-19(20)6-10-25-21)27-11-7-18-16-29-13-12-26(22(18)15-27)14-17-4-8-24-9-5-17/h1-6,8-10,18,22,25H,7,11-16H2/t18-,22+/m1/s1

InChI Key

CYQJPVKVUTYNEM-GCJKJVERSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.525

Distribution Coefficient, logD

1.501

Water Solubility, LogSw

-1.93

Polar Surface Area

47.683

Acid Dissociation Constant (pKa)

17.81

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.13

S232-1995 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S232-1995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S232-1995?
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What is the minimum amount of S232-1995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S232-1995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S232-1995
  • 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 S232-1995 available by request