J024-0049 Screening compound: 2-[11-(2-furyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-(2-thienylmethyl)acetamide

J024-0049 Screening compound: 2-[11-(2-furyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-(2-thienylmethyl)acetamide
J024-0049 Screening compound: 2-[11-(2-furyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-(2-thienylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0049
2-[11-(2-furyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-(2-thienylmethyl)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

J024-0049

Molecular Formula

C26H27N3O3S (C26 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(CC(NCc2cccs2)=O)C2c3ccco3)=C2C1=O

InChI

InChI=1S/C26H27N3O3S/c1-26(2)13-19-24(21(30)14-26)25(22-10-5-11-32-22)29(20-9-4-3-8-18(20)28-19)16-23(31)27-15-17-7-6-12-33-17/h3-12,25,28H,13-16H2,1-2H3,(H,27,31)/t25-/m0/s1

InChI Key

QWRVIUXSOFZEJQ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD09666844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.585

Distribution Coefficient, logD

4.552

Water Solubility, LogSw

-4.33

Polar Surface Area

60.648

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

J024-0049 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J024-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0049
  • 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 J024-0049 available by request