J109-0634 Screening compound: N~4~-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-1-(2-methoxyethyl)-1H-indole-4-carboxamide

J109-0634 Screening compound: N~4~-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-1-(2-methoxyethyl)-1H-indole-4-carboxamide
J109-0634 Screening compound: N~4~-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-1-(2-methoxyethyl)-1H-indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J109-0634
N~4~-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-1-(2-methoxyethyl)-1H-indole-4-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

J109-0634

Molecular Formula

C24H24N4O4 (C24 H24 N4 O4)

Compound Name

N~4~-[(11aS)-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl]-1-(2-methoxyethyl)-1H-indole-4-carboxamide

IUPAC name

N-[(7S)-28-dioxo-39-diazatricyclo[8.4.0.0^{37}]tetradeca-1(14)1012-trien-13-yl]-1-(2-methoxyethyl)-1H-indole-4-carboxamide

SMILES

COCCn1c2cccc(C(Nc(cc3)cc(C(N4[C@H]5CCC4)=O)c3NC5=O)=O)c2cc1

InChI

InChI=1S/C24H24N4O4/c1-32-13-12-27-11-9-16-17(4-2-5-20(16)27)22(29)25-15-7-8-19-18(14-15)24(31)28-10-3-6-21(28)23(30)26-19/h2,4-5,7-9,11,14,21H,3,6,10,12-13H2,1H3,(H,25,29)(H,26,30)/t21-/m0/s1

InChI Key

QULXXQGTSBWGJD-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.080

Distribution Coefficient, logD

2.000

Water Solubility, LogSw

-3.05

Polar Surface Area

75.571

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

J109-0634 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with J109-0634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J109-0634?
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What is the minimum amount of J109-0634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J109-0634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J109-0634
  • 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 J109-0634 available by request