J024-0010 Screening compound: 2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N~1~-(3-methoxypropyl)acetamide

J024-0010 Screening compound: 2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N~1~-(3-methoxypropyl)acetamide
J024-0010 Screening compound: 2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N~1~-(3-methoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0010
2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N~1~-(3-methoxypropyl)acetamide

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

J024-0010

Molecular Formula

C27H33N3O3 (C27 H33 N3 O3)

Compound Name

2-(3,3-dimethyl-1-oxo-11-phenyl-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl)-N~1~-(3-methoxypropyl)acetamide

IUPAC name

2-{1414-dimethyl-12-oxo-10-phenyl-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-9-yl}-N-(3-methoxypropyl)acetamide

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(CC(NCCCOC)=O)C2c3ccccc3)=C2C1=O

InChI

InChI=1S/C27H33N3O3/c1-27(2)16-21-25(23(31)17-27)26(19-10-5-4-6-11-19)30(18-24(32)28-14-9-15-33-3)22-13-8-7-12-20(22)29-21/h4-8,10-13,26,29H,9,14-18H2,1-3H3,(H,28,32)/t26-/m0/s1

InChI Key

FYHMJBMDMKQJSL-SANMLTNESA-N

MDL Number (MFCD)

MFCD09665409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

3.927

Water Solubility, LogSw

-4.04

Polar Surface Area

59.507

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

J024-0010 in Drug Discovery

Included in Screening Libraries

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0010?
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What is the minimum amount of J024-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0010
  • 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 J024-0010 available by request