G339-0642 Screening compound: N-benzyl-1-[(3-methoxyphenyl)methyl]-1H-indazole-6-carboxamide

G339-0642 Screening compound: N-benzyl-1-[(3-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
G339-0642 Screening compound: N-benzyl-1-[(3-methoxyphenyl)methyl]-1H-indazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G339-0642
N-benzyl-1-[(3-methoxyphenyl)methyl]-1H-indazole-6-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

G339-0642

Molecular Formula

C23H21N3O2 (C23 H21 N3 O2)

Compound Name

N-benzyl-1-[(3-methoxyphenyl)methyl]-1H-indazole-6-carboxamide

IUPAC name

N-benzyl-1-[(3-methoxyphenyl)methyl]-1H-indazole-6-carboxamide

SMILES

COc1cccc(Cn2ncc(cc3)c2cc3C(NCc2ccccc2)=O)c1

InChI

InChI=1S/C23H21N3O2/c1-28-21-9-5-8-18(12-21)16-26-22-13-19(10-11-20(22)15-25-26)23(27)24-14-17-6-3-2-4-7-17/h2-13,15H,14,16H2,1H3,(H,24,27)

InChI Key

OMRSGKHLBJJUPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27135963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.899

Distribution Coefficient, logD

3.899

Water Solubility, LogSw

-4.01

Polar Surface Area

45.627

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G339-0642 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with G339-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G339-0642?
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What is the minimum amount of G339-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G339-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G339-0642
  • 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 G339-0642 available by request