J024-0318 Screening compound: N~10~-cyclopentyl-1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

J024-0318 Screening compound: N~10~-cyclopentyl-1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide
J024-0318 Screening compound: N~10~-cyclopentyl-1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0318
N~10~-cyclopentyl-1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

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

J024-0318

Molecular Formula

C23H25N3O2S (C23 H25 N3 O2 S)

Compound Name

N~10~-cyclopentyl-1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carboxamide

IUPAC name

N-cyclopentyl-12-oxo-10-(thiophen-2-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraene-9-carboxamide

SMILES

O=C(NC1CCCC1)N(C1c2cccs2)c(cccc2)c2NC(CCC2)=C1C2=O

InChI

InChI=1S/C23H25N3O2S/c27-19-12-5-10-17-21(19)22(20-13-6-14-29-20)26(18-11-4-3-9-16(18)25-17)23(28)24-15-7-1-2-8-15/h3-4,6,9,11,13-15,22,25H,1-2,5,7-8,10,12H2,(H,24,28)/t22-/m0/s1

InChI Key

MFTOKUASBFAWIX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15078693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.629

Distribution Coefficient, logD

4.614

Water Solubility, LogSw

-4.70

Polar Surface Area

50.417

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

J024-0318 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with J024-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0318?
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What is the minimum amount of J024-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0318
  • 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 J024-0318 available by request