G339-0406 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-chlorophenyl)methyl]-1H-indazole-6-carboxamide

G339-0406 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-chlorophenyl)methyl]-1H-indazole-6-carboxamide
G339-0406 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-chlorophenyl)methyl]-1H-indazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G339-0406
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-chlorophenyl)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

G339-0406

Molecular Formula

C23H18ClN3O3 (C23 H18 ClN3 O3)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-chlorophenyl)methyl]-1H-indazole-6-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-[(4-chlorophenyl)methyl]-1H-indazole-6-carboxamide

SMILES

O=C(c1cc(n(Cc(cc2)ccc2Cl)nc2)c2cc1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C23H18ClN3O3/c24-19-6-1-15(2-7-19)13-27-20-10-17(4-5-18(20)12-26-27)23(28)25-11-16-3-8-21-22(9-16)30-14-29-21/h1-10,12H,11,13-14H2,(H,25,28)

InChI Key

CRBHFSACUXEEJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27135891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.351

Distribution Coefficient, logD

4.351

Water Solubility, LogSw

-4.56

Polar Surface Area

55.199

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G339-0406 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G339-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G339-0406?
Check Price and Availability of G339-0406, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G339-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G339-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G339-0406
  • 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 G339-0406 available by request