J106-0654 Screening compound: 1-(6-bromo-1H-indazol-3-yl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

J106-0654 Screening compound: 1-(6-bromo-1H-indazol-3-yl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
J106-0654 Screening compound: 1-(6-bromo-1H-indazol-3-yl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J106-0654
1-(6-bromo-1H-indazol-3-yl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-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

J106-0654

Molecular Formula

C20H19BrN4O2 (C20 H19 BrN4 O2)

Compound Name

1-(6-bromo-1H-indazol-3-yl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

IUPAC name

1-(6-bromo-1H-indazol-3-yl)-N-(23-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

SMILES

Cc1cccc(NC(C(CC2=O)CN2c2n[nH]c3c2ccc(Br)c3)=O)c1C

InChI

InChI=1S/C20H19BrN4O2/c1-11-4-3-5-16(12(11)2)22-20(27)13-8-18(26)25(10-13)19-15-7-6-14(21)9-17(15)23-24-19/h3-7,9,13H,8,10H2,1-2H3,(H,22,27)(H,23,24)/t13-/m1/s1

InChI Key

HSMUIWXJBAPOKP-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD29007420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.137

Distribution Coefficient, logD

4.136

Water Solubility, LogSw

-4.34

Polar Surface Area

61.791

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

-1.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

J106-0654 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J106-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J106-0654?
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What is the minimum amount of J106-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J106-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J106-0654
  • 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 J106-0654 available by request