G118-0812 Screening compound: 4-ethyl-N~5~-(4-fluorobenzyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-0812 Screening compound: 4-ethyl-N~5~-(4-fluorobenzyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-0812 Screening compound: 4-ethyl-N~5~-(4-fluorobenzyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-0812
4-ethyl-N~5~-(4-fluorobenzyl)-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

G118-0812

Molecular Formula

C22H22FN3O (C22 H22 FN3 O)

Compound Name

4-ethyl-N~5~-(4-fluorobenzyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

IUPAC name

7-ethyl-N-[(4-fluorophenyl)methyl]-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carboxamide

SMILES

CCC(c1cccn1-c1c(C2)cccc1)N2C(NCc(cc1)ccc1F)=O

InChI

InChI=1S/C22H22FN3O/c1-2-19-21-8-5-13-25(21)20-7-4-3-6-17(20)15-26(19)22(27)24-14-16-9-11-18(23)12-10-16/h3-13,19H,2,14-15H2,1H3,(H,24,27)/t19-/m0/s1

InChI Key

LULZEVFDHAYCLF-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27209633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.43

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

4.703

Distribution Coefficient, logD

4.703

Water Solubility, LogSw

-4.22

Polar Surface Area

28.117

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

G118-0812 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G118-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-0812?
Check Price and Availability of G118-0812, 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 G118-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-0812
  • 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 G118-0812 available by request