J103-0069 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl]acetamide

J103-0069 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl]acetamide
J103-0069 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J103-0069
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl]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

J103-0069

Molecular Formula

C14H19N3O4S (C14 H19 N3 O4 S)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl]acetamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-2-(3-oxo-235678-hexahydrocinnolin-2-yl)acetamide

SMILES

O=C(CN1N=C(CCCC2)C2=CC1=O)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C14H19N3O4S/c18-13(15-11-5-6-22(20,21)9-11)8-17-14(19)7-10-3-1-2-4-12(10)16-17/h7,11H,1-6,8-9H2,(H,15,18)/t11-/m1/s1

InChI Key

LDZPBEIGWHXOPE-LLVKDONJSA-N

MDL Number (MFCD)

MFCD22585801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.712

Distribution Coefficient, logD

-0.712

Water Solubility, LogSw

-1.58

Polar Surface Area

80.867

Acid Dissociation Constant (pKa)

16.30

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.30

J103-0069 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J103-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J103-0069?
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What is the minimum amount of J103-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J103-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J103-0069
  • 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 J103-0069 available by request