J024-0030 Screening compound: 2-[11-(4-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-methylacetamide

J024-0030 Screening compound: 2-[11-(4-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-methylacetamide
J024-0030 Screening compound: 2-[11-(4-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0030
2-[11-(4-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-methylacetamide

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

J024-0030

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

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

IUPAC name

2-[10-(4-methoxyphenyl)-1414-dimethyl-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-9-yl]-N-methylacetamide

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(CC(NC)=O)C2c(cc3)ccc3OC)=C2C1=O

InChI

InChI=1S/C25H29N3O3/c1-25(2)13-19-23(21(29)14-25)24(16-9-11-17(31-4)12-10-16)28(15-22(30)26-3)20-8-6-5-7-18(20)27-19/h5-12,24,27H,13-15H2,1-4H3,(H,26,30)/t24-/m0/s1

InChI Key

VPMJMDJLLSSUCP-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD13370394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.478

Distribution Coefficient, logD

3.458

Water Solubility, LogSw

-3.74

Polar Surface Area

59.017

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

J024-0030 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 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 J024-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0030?
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What is the minimum amount of J024-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0030
  • 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 J024-0030 available by request