G118-1759 Screening compound: 4-(4-ethylphenyl)-N~5~-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-1759 Screening compound: 4-(4-ethylphenyl)-N~5~-[2-(trifluoromethyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-1759 Screening compound: 4-(4-ethylphenyl)-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 G118-1759
4-(4-ethylphenyl)-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

G118-1759

Molecular Formula

C28H24F3N3O (C28 H24 F3 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(C(c2cccn2-c2c(C3)cccc2)N3C(Nc2c(C(F)(F)F)cccc2)=O)cc1

InChI

InChI=1S/C28H24F3N3O/c1-2-19-13-15-20(16-14-19)26-25-12-7-17-33(25)24-11-6-3-8-21(24)18-34(26)27(35)32-23-10-5-4-9-22(23)28(29,30)31/h3-17,26H,2,18H2,1H3,(H,32,35)/t26-/m1/s1

InChI Key

XAHGQQXLGTXWNS-AREMUKBSSA-N

MDL Number (MFCD)

MFCD14981590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.51

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

7.603

Distribution Coefficient, logD

7.603

Water Solubility, LogSw

-5.74

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

17.90

G118-1759 in Drug Discovery

Included in Screening Libraries

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

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 G118-1759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-1759?
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What is the minimum amount of G118-1759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-1759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-1759
  • 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 G118-1759 available by request