J024-0556 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]-4-oxobutanoic acid

J024-0556 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]-4-oxobutanoic acid
J024-0556 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]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0556
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]-4-oxobutanoic 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

J024-0556

Molecular Formula

C23H24N2O4S (C23 H24 N2 O4 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]-4-oxobutanoic acid

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]-4-oxobutanoic acid

SMILES

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

InChI

InChI=1S/C23H24N2O4S/c1-23(2)12-15-21(17(26)13-23)22(18-8-5-11-30-18)25(19(27)9-10-20(28)29)16-7-4-3-6-14(16)24-15/h3-8,11,22,24H,9-10,12-13H2,1-2H3,(H,28,29)/t22-/m0/s1

InChI Key

PFQLPFDSSFALSE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD09454996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

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

3.074

Distribution Coefficient, logD

0.125

Water Solubility, LogSw

-3.51

Polar Surface Area

68.311

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

J024-0556 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0556?
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What is the minimum amount of J024-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0556
  • 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 J024-0556 available by request