G216-0292 Screening compound: 5-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-6-oxo-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide

G216-0292 Screening compound: 5-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]-3-methyl-6-oxo-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
G216-0292 Screening compound: 5-[(4-fluorophenyl)methyl]-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 G216-0292
5-[(4-fluorophenyl)methyl]-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

G216-0292

Molecular Formula

C29H27FN4O3S (C29 H27 FN4 O3 S)

Compound Name

5-[(4-fluorophenyl)methyl]-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-[(4-fluorophenyl)methyl]-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)N1Cc(cc2)ccc2F)c2SCC1=O)nn2-c1ccccc1

InChI

InChI=1S/C29H27FN4O3S/c1-19-26-27(28(36)31-16-21-8-6-7-11-24(21)37-2)33(17-20-12-14-22(30)15-13-20)25(35)18-38-29(26)34(32-19)23-9-4-3-5-10-23/h3-15,27H,16-18H2,1-2H3,(H,31,36)/t27-/m0/s1

InChI Key

XSSZFPMAJKVNOI-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14987230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-4.28

Polar Surface Area

61.367

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

G216-0292 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 G216-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G216-0292?
Check Price and Availability of G216-0292, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G216-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G216-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G216-0292
  • 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 G216-0292 available by request