J024-0579 Screening compound: 4-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxo-N~1~-(3-pyridylmethyl)butanamide

J024-0579 Screening compound: 4-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxo-N~1~-(3-pyridylmethyl)butanamide
J024-0579 Screening compound: 4-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxo-N~1~-(3-pyridylmethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0579
4-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxo-N~1~-(3-pyridylmethyl)butanamide

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

J024-0579

Molecular Formula

C27H26N4O4 (C27 H26 N4 O4)

Compound Name

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

IUPAC name

4-[10-(furan-2-yl)-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-9-yl]-4-oxo-N-[(pyridin-3-yl)methyl]butanamide

SMILES

O=C(CCC(N(C1c2ccco2)c(cccc2)c2NC(CCC2)=C1C2=O)=O)NCc1cnccc1

InChI

InChI=1S/C27H26N4O4/c32-22-10-3-8-20-26(22)27(23-11-5-15-35-23)31(21-9-2-1-7-19(21)30-20)25(34)13-12-24(33)29-17-18-6-4-14-28-16-18/h1-2,4-7,9,11,14-16,27,30H,3,8,10,12-13,17H2,(H,29,33)/t27-/m0/s1

InChI Key

CFCCCMPBURZMOA-MHZLTWQESA-N

MDL Number (MFCD)

MFCD15078743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.047

Distribution Coefficient, logD

1.875

Water Solubility, LogSw

-2.19

Polar Surface Area

81.205

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

J024-0579 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0579?
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What is the minimum amount of J024-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0579
  • 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 J024-0579 available by request