J024-0588 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]-N~1~-propylbutanamide

J024-0588 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]-N~1~-propylbutanamide
J024-0588 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]-N~1~-propylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0588
4-oxo-4-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N~1~-propylbutanamide

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

J024-0588

Molecular Formula

C24H27N3O3S (C24 H27 N3 O3 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]-N~1~-propylbutanamide

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]-N-propylbutanamide

SMILES

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

InChI

InChI=1S/C24H27N3O3S/c1-2-14-25-21(29)12-13-22(30)27-18-9-4-3-7-16(18)26-17-8-5-10-19(28)23(17)24(27)20-11-6-15-31-20/h3-4,6-7,9,11,15,24,26H,2,5,8,10,12-14H2,1H3,(H,25,29)/t24-/m0/s1

InChI Key

TZHQBSXTFPRWKK-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD15078748

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

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.765

Distribution Coefficient, logD

2.595

Water Solubility, LogSw

-3.35

Polar Surface Area

64.240

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

J024-0588 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 J024-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0588?
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What is the minimum amount of J024-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0588
  • 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 J024-0588 available by request