J024-0648 Screening compound: N~1~-[4-(acetylamino)phenyl]-2-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide

J024-0648 Screening compound: N~1~-[4-(acetylamino)phenyl]-2-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide
J024-0648 Screening compound: N~1~-[4-(acetylamino)phenyl]-2-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0648
N~1~-[4-(acetylamino)phenyl]-2-[11-(2-furyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide

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

J024-0648

Molecular Formula

C27H26N4O4 (C27 H26 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(cc1)ccc1NC(CN(C1c2ccco2)c(cccc2)c2NC(CCC2)=C1C2=O)=O)=O

InChI

InChI=1S/C27H26N4O4/c1-17(32)28-18-11-13-19(14-12-18)29-25(34)16-31-22-8-3-2-6-20(22)30-21-7-4-9-23(33)26(21)27(31)24-10-5-15-35-24/h2-3,5-6,8,10-15,27,30H,4,7,9,16H2,1H3,(H,28,32)(H,29,34)/t27-/m0/s1

InChI Key

NYBJXAHHKABGTP-MHZLTWQESA-N

MDL Number (MFCD)

MFCD13370444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.628

Distribution Coefficient, logD

3.614

Water Solubility, LogSw

-3.91

Polar Surface Area

81.570

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

J024-0648 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 J024-0648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0648?
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What is the minimum amount of J024-0648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0648
  • 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 J024-0648 available by request