J024-0558 Screening compound: 4-oxo-4-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]butanoic acid

J024-0558 Screening compound: 4-oxo-4-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]butanoic acid
J024-0558 Screening compound: 4-oxo-4-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0558
4-oxo-4-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]butanoic acid

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

J024-0558

Molecular Formula

C21H20N2O4S (C21 H20 N2 O4 S)

Compound Name

4-oxo-4-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]butanoic acid

IUPAC name

4-oxo-4-[12-oxo-10-(thiophen-2-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-9-yl]butanoic acid

SMILES

OC(CCC(N(C1c2cccs2)c(cccc2)c2NC(CCC2)=C1C2=O)=O)=O

InChI

InChI=1S/C21H20N2O4S/c24-16-8-3-6-14-20(16)21(17-9-4-12-28-17)23(18(25)10-11-19(26)27)15-7-2-1-5-13(15)22-14/h1-2,4-5,7,9,12,21-22H,3,6,8,10-11H2,(H,26,27)/t21-/m0/s1

InChI Key

ZUQORNFFLPDYLV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD09454998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.469

Distribution Coefficient, logD

-0.481

Water Solubility, LogSw

-2.78

Polar Surface Area

68.311

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

J024-0558 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • 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 J024-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0558?
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What is the minimum amount of J024-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0558
  • 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 J024-0558 available by request