G216-0327 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[(2-methoxyphenyl)methyl]-3-methyl-6-oxo-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide

G216-0327 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[(2-methoxyphenyl)methyl]-3-methyl-6-oxo-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
G216-0327 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N-[(2-methoxyphenyl)methyl]-3-methyl-6-oxo-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G216-0327
5-(2H-1,3-benzodioxol-5-yl)-N-[(2-methoxyphenyl)methyl]-3-methyl-6-oxo-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-f][1,4]thiazepine-4-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

G216-0327

Molecular Formula

C29H26N4O5S (C29 H26 N4 O5 S)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-N-[(2-methoxyphenyl)methyl]-3-methyl-6-oxo-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide

IUPAC name

5-(2H-13-benzodioxol-5-yl)-N-[(2-methoxyphenyl)methyl]-3-methyl-6-oxo-1-phenyl-1H4H5H6H7H-pyrazolo[43-f][14]thiazepine-4-carboxamide

SMILES

Cc(c(C(C(NCc(cccc1)c1OC)=O)N1c(cc2)cc3c2OCO3)c2SCC1=O)nn2-c1ccccc1

InChI

InChI=1S/C29H26N4O5S/c1-18-26-27(28(35)30-15-19-8-6-7-11-22(19)36-2)32(21-12-13-23-24(14-21)38-17-37-23)25(34)16-39-29(26)33(31-18)20-9-4-3-5-10-20/h3-14,27H,15-17H2,1-2H3,(H,30,35)/t27-/m0/s1

InChI Key

QAVGBGHLKPXOAM-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14987241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.62

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

3.982

Distribution Coefficient, logD

3.982

Water Solubility, LogSw

-4.08

Polar Surface Area

77.871

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-0.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

G216-0327 in Drug Discovery

Included in Screening Libraries

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

Cyclic Ugi PPI Library (9586 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with G216-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G216-0327?
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What is the minimum amount of G216-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G216-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G216-0327
  • 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 G216-0327 available by request