J024-0129 Screening compound: N~1~-(2,4-dimethylphenyl)-2-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide

J024-0129 Screening compound: N~1~-(2,4-dimethylphenyl)-2-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide
J024-0129 Screening compound: N~1~-(2,4-dimethylphenyl)-2-[1-oxo-11-(2-thienyl)-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 J024-0129
N~1~-(2,4-dimethylphenyl)-2-[1-oxo-11-(2-thienyl)-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

J024-0129

Molecular Formula

C27H27N3O2S (C27 H27 N3 O2 S)

Compound Name

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

IUPAC name

N-(24-dimethylphenyl)-2-[12-oxo-10-(thiophen-2-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-9-yl]acetamide

SMILES

Cc(cc1)cc(C)c1NC(CN(C1c2cccs2)c(cccc2)c2NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C27H27N3O2S/c1-17-12-13-19(18(2)15-17)29-25(32)16-30-22-9-4-3-7-20(22)28-21-8-5-10-23(31)26(21)27(30)24-11-6-14-33-24/h3-4,6-7,9,11-15,27-28H,5,8,10,16H2,1-2H3,(H,29,32)/t27-/m0/s1

InChI Key

PWUONEMRVVECJG-MHZLTWQESA-N

MDL Number (MFCD)

MFCD15078615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.333

Distribution Coefficient, logD

5.319

Water Solubility, LogSw

-5.19

Polar Surface Area

50.050

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

J024-0129 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 J024-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0129?
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What is the minimum amount of J024-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0129
  • 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 J024-0129 available by request