G118-1772 Screening compound: N~5~-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-ethylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

G118-1772 Screening compound: N~5~-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-ethylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide
G118-1772 Screening compound: N~5~-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-ethylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G118-1772
N~5~-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-ethylphenyl)-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

G118-1772

Molecular Formula

C29H27N3O3 (C29 H27 N3 O3)

Compound Name

N~5~-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-ethylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carboxamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-7-(4-ethylphenyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaene-8-carboxamide

SMILES

CCc1ccc(C(c2cccn2-c2c(C3)cccc2)N3C(Nc(cc2)cc3c2OCCO3)=O)cc1

InChI

InChI=1S/C29H27N3O3/c1-2-20-9-11-21(12-10-20)28-25-8-5-15-31(25)24-7-4-3-6-22(24)19-32(28)29(33)30-23-13-14-26-27(18-23)35-17-16-34-26/h3-15,18,28H,2,16-17,19H2,1H3,(H,30,33)/t28-/m1/s1

InChI Key

UPUQZILBIBVFOT-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD27209799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.664

Distribution Coefficient, logD

5.664

Water Solubility, LogSw

-5.42

Polar Surface Area

42.394

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

G118-1772 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with G118-1772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G118-1772?
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What is the minimum amount of G118-1772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G118-1772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G118-1772
  • 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 G118-1772 available by request