J024-0571 Screening compound: 4-[3,3-dimethyl-1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-methyl-4-oxobutanamide

J024-0571 Screening compound: 4-[3,3-dimethyl-1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-methyl-4-oxobutanamide
J024-0571 Screening compound: 4-[3,3-dimethyl-1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-methyl-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0571
4-[3,3-dimethyl-1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-methyl-4-oxobutanamide

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

J024-0571

Molecular Formula

C24H27N3O3S (C24 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(C2c3cccs3)C(CCC(NC)=O)=O)=C2C1=O

InChI

InChI=1S/C24H27N3O3S/c1-24(2)13-16-22(18(28)14-24)23(19-9-6-12-31-19)27(21(30)11-10-20(29)25-3)17-8-5-4-7-15(17)26-16/h4-9,12,23,26H,10-11,13-14H2,1-3H3,(H,25,29)/t23-/m0/s1

InChI Key

DJIXNJKHVKKZFM-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15078736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.533

Distribution Coefficient, logD

2.196

Water Solubility, LogSw

-2.81

Polar Surface Area

64.549

Acid Dissociation Constant (pKa)

7.33

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

J024-0571 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0571?
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What is the minimum amount of J024-0571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0571
  • 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 J024-0571 available by request