G215-1768 Screening compound: N~3~-cyclopentyl-4-(4-isopropoxybenzyl)-3-methyl-5-oxo-2,3,4,5-tetrahydro[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide

G215-1768 Screening compound: N~3~-cyclopentyl-4-(4-isopropoxybenzyl)-3-methyl-5-oxo-2,3,4,5-tetrahydro[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide
G215-1768 Screening compound: N~3~-cyclopentyl-4-(4-isopropoxybenzyl)-3-methyl-5-oxo-2,3,4,5-tetrahydro[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G215-1768
N~3~-cyclopentyl-4-(4-isopropoxybenzyl)-3-methyl-5-oxo-2,3,4,5-tetrahydro[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide

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

G215-1768

Molecular Formula

C28H32N2O5 (C28 H32 N2 O5)

Compound Name

N~3~-cyclopentyl-4-(4-isopropoxybenzyl)-3-methyl-5-oxo-2,3,4,5-tetrahydro[1]benzofuro[2,3-f][1,4]oxazepine-3-carboxamide

IUPAC name

N-cyclopentyl-12-methyl-10-oxo-11-{[4-(propan-2-yloxy)phenyl]methyl}-814-dioxa-11-azatricyclo[7.5.0.0^{27}]tetradeca-1(9)2(7)35-tetraene-12-carboxamide

SMILES

CC(C)Oc1ccc(CN(C(C)(COc2c3oc4c2cccc4)C(NC2CCCC2)=O)C3=O)cc1

InChI

InChI=1S/C28H32N2O5/c1-18(2)34-21-14-12-19(13-15-21)16-30-26(31)25-24(22-10-6-7-11-23(22)35-25)33-17-28(30,3)27(32)29-20-8-4-5-9-20/h6-7,10-15,18,20H,4-5,8-9,16-17H2,1-3H3,(H,29,32)/t28-/m0/s1

InChI Key

RGCNQRIMXIJZOH-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD27643307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.639

Distribution Coefficient, logD

5.639

Water Solubility, LogSw

-5.58

Polar Surface Area

63.852

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

G215-1768 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others

References: we are preparing a list of scientific research reports with G215-1768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G215-1768?
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What is the minimum amount of G215-1768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G215-1768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G215-1768
  • 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 G215-1768 available by request