J103-0029 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide

J103-0029 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide
J103-0029 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J103-0029
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-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

J103-0029

Molecular Formula

C18H18N4O3S (C18 H18 N4 O3 S)

Compound Name

N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-yl)acetamide

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)-2-(3-oxo-235678-hexahydrocinnolin-2-yl)acetamide

SMILES

COc(cc1)cc2c1nc(NC(CN1N=C(CCCC3)C3=CC1=O)=O)s2

InChI

InChI=1S/C18H18N4O3S/c1-25-12-6-7-14-15(9-12)26-18(19-14)20-16(23)10-22-17(24)8-11-4-2-3-5-13(11)21-22/h6-9H,2-5,10H2,1H3,(H,19,20,23)

InChI Key

ZUYJZUUAZCFKBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18796874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.958

Distribution Coefficient, logD

2.958

Water Solubility, LogSw

-3.51

Polar Surface Area

68.687

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

J103-0029 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J103-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J103-0029?
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What is the minimum amount of J103-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J103-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J103-0029
  • 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 J103-0029 available by request