G216-0769 Screening compound: 5-(2,5-dimethylphenyl)-3-methyl-N-[(4-methylphenyl)methyl]-6-oxo-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide

G216-0769 Screening compound: 5-(2,5-dimethylphenyl)-3-methyl-N-[(4-methylphenyl)methyl]-6-oxo-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-f][1,4]thiazepine-4-carboxamide
G216-0769 Screening compound: 5-(2,5-dimethylphenyl)-3-methyl-N-[(4-methylphenyl)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 G216-0769
5-(2,5-dimethylphenyl)-3-methyl-N-[(4-methylphenyl)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

G216-0769

Molecular Formula

C30H30N4O2S (C30 H30 N4 O2 S)

Compound Name

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

IUPAC name

5-(25-dimethylphenyl)-3-methyl-N-[(4-methylphenyl)methyl]-6-oxo-1-phenyl-1H4H5H6H7H-pyrazolo[43-f][14]thiazepine-4-carboxamide

SMILES

Cc(c(C(C(NCc1ccc(C)cc1)=O)N1c2c(C)ccc(C)c2)c2SCC1=O)nn2-c1ccccc1

InChI

InChI=1S/C30H30N4O2S/c1-19-11-14-23(15-12-19)17-31-29(36)28-27-22(4)32-34(24-8-6-5-7-9-24)30(27)37-18-26(35)33(28)25-16-20(2)10-13-21(25)3/h5-16,28H,17-18H2,1-4H3,(H,31,36)/t28-/m0/s1

InChI Key

NQIJJSIJCIACSG-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14987260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.258

Distribution Coefficient, logD

5.258

Water Solubility, LogSw

-5.10

Polar Surface Area

52.824

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

G216-0769 in Drug Discovery

Included in Screening Libraries

Cyclic Ugi PPI Library (9586 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 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 G216-0769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G216-0769?
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What is the minimum amount of G216-0769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G216-0769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G216-0769
  • 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 G216-0769 available by request