G118-2081 Screening compound: 4-(2-methylphenyl)-N~5~-[3-(trifluoromethyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-2081 Screening compound: 4-(2-methylphenyl)-N~5~-[3-(trifluoromethyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-2081 Screening compound: 4-(2-methylphenyl)-N~5~-[3-(trifluoromethyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-2081
4-(2-methylphenyl)-N~5~-[3-(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

G118-2081

Molecular Formula

C27H22F3N3O (C27 H22 F3 N3 O)

Compound Name

4-(2-methylphenyl)-N~5~-[3-(trifluoromethyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

IUPAC name

7-(2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carboxamide

SMILES

Cc1c(C(c2cccn2-c2c(C3)cccc2)N3C(Nc2cccc(C(F)(F)F)c2)=O)cccc1

InChI

InChI=1S/C27H22F3N3O/c1-18-8-2-4-12-22(18)25-24-14-7-15-32(24)23-13-5-3-9-19(23)17-33(25)26(34)31-21-11-6-10-20(16-21)27(28,29)30/h2-16,25H,17H2,1H3,(H,31,34)/t25-/m1/s1

InChI Key

QFHBHMOCLRDKJN-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14981762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.235

Distribution Coefficient, logD

7.235

Water Solubility, LogSw

-5.73

Polar Surface Area

26.571

Acid Dissociation Constant (pKa)

12.42

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

G118-2081 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 G118-2081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-2081?
Check Price and Availability of G118-2081, 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 G118-2081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-2081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-2081
  • 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 G118-2081 available by request