G118-0562 Screening compound: N~5~-(2-furylmethyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-0562 Screening compound: N~5~-(2-furylmethyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-0562 Screening compound: N~5~-(2-furylmethyl)-4-[4-(methylsulfanyl)phenyl]-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-0562
N~5~-(2-furylmethyl)-4-[4-(methylsulfanyl)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

G118-0562

Molecular Formula

C25H23N3O2S (C25 H23 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CSc1ccc(C(c2cccn2-c2c(C3)cccc2)N3C(NCc2ccco2)=O)cc1

InChI

InChI=1S/C25H23N3O2S/c1-31-21-12-10-18(11-13-21)24-23-9-4-14-27(23)22-8-3-2-6-19(22)17-28(24)25(29)26-16-20-7-5-15-30-20/h2-15,24H,16-17H2,1H3,(H,26,29)/t24-/m1/s1

InChI Key

ZZPZUCWROPSGHP-XMMPIXPASA-N

MDL Number (MFCD)

MFCD14981201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.993

Distribution Coefficient, logD

5.993

Water Solubility, LogSw

-5.59

Polar Surface Area

35.642

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

G118-0562 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 G118-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-0562?
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What is the minimum amount of G118-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-0562
  • 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 G118-0562 available by request