J024-0139 Screening compound: 1-{2-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetyl}-4-piperidinecarboxamide

J024-0139 Screening compound: 1-{2-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetyl}-4-piperidinecarboxamide
J024-0139 Screening compound: 1-{2-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetyl}-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J024-0139
1-{2-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetyl}-4-piperidinecarboxamide

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

J024-0139

Molecular Formula

C25H28N4O3S (C25 H28 N4 O3 S)

Compound Name

1-{2-[1-oxo-11-(2-thienyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetyl}-4-piperidinecarboxamide

IUPAC name

1-{2-[12-oxo-10-(thiophen-2-yl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-9-yl]acetyl}piperidine-4-carboxamide

SMILES

NC(C(CC1)CCN1C(CN(C1c2cccs2)c(cccc2)c2NC(CCC2)=C1C2=O)=O)=O

InChI

InChI=1S/C25H28N4O3S/c26-25(32)16-10-12-28(13-11-16)22(31)15-29-19-7-2-1-5-17(19)27-18-6-3-8-20(30)23(18)24(29)21-9-4-14-33-21/h1-2,4-5,7,9,14,16,24,27H,3,6,8,10-13,15H2,(H2,26,32)/t24-/m0/s1

InChI Key

MQHFNDZQCNBRTK-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD15078623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.179

Distribution Coefficient, logD

2.166

Water Solubility, LogSw

-2.72

Polar Surface Area

78.050

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

7.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

J024-0139 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J024-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J024-0139?
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What is the minimum amount of J024-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J024-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J024-0139
  • 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 J024-0139 available by request