G118-0608 Screening compound: 4-(4-isopropylphenyl)-N~5~-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-0608 Screening compound: 4-(4-isopropylphenyl)-N~5~-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-0608 Screening compound: 4-(4-isopropylphenyl)-N~5~-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-0608
4-(4-isopropylphenyl)-N~5~-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-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

G118-0608

Molecular Formula

C29H26F3N3O (C29 H26 F3 N3 O)

Compound Name

4-(4-isopropylphenyl)-N~5~-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

IUPAC name

7-[4-(propan-2-yl)phenyl]-N-[2-(trifluoromethyl)phenyl]-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carboxamide

SMILES

CC(C)c1ccc(C(c2cccn2-c2c(C3)cccc2)N3C(Nc2c(C(F)(F)F)cccc2)=O)cc1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.54

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.010

Distribution Coefficient, logD

8.010

Water Solubility, LogSw

-5.77

Polar Surface Area

25.873

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

G118-0608 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G118-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-0608?
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What is the minimum amount of G118-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-0608
  • 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 G118-0608 available by request