J024-0266 Screening compound: 3,3-dimethyl-1-oxo-N~10~-(tetrahydro-2-furanylmethyl)-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

J024-0266 Screening compound: 3,3-dimethyl-1-oxo-N~10~-(tetrahydro-2-furanylmethyl)-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
J024-0266 Screening compound: 3,3-dimethyl-1-oxo-N~10~-(tetrahydro-2-furanylmethyl)-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0266
3,3-dimethyl-1-oxo-N~10~-(tetrahydro-2-furanylmethyl)-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-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

J024-0266

Molecular Formula

C25H29N3O3S (C25 H29 N3 O3 S)

Compound Name

3,3-dimethyl-1-oxo-N~10~-(tetrahydro-2-furanylmethyl)-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

IUPAC name

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

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(C2c3cccs3)C(NCC3OCCC3)=O)=C2C1=O

InChI

InChI=1S/C25H29N3O3S/c1-25(2)13-18-22(20(29)14-25)23(21-10-6-12-32-21)28(19-9-4-3-8-17(19)27-18)24(30)26-15-16-7-5-11-31-16/h3-4,6,8-10,12,16,23,27H,5,7,11,13-15H2,1-2H3,(H,26,30)

InChI Key

SQYHCQIDAQLPHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15078663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.59

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

4.049

Distribution Coefficient, logD

4.012

Water Solubility, LogSw

-4.16

Polar Surface Area

58.980

Acid Dissociation Constant (pKa)

8.46

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

J024-0266 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of J024-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0266
  • 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 J024-0266 available by request