F652-0168 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-methyl-1H-indazole-1-carboxamide

F652-0168 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-methyl-1H-indazole-1-carboxamide
F652-0168 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-3-methyl-1H-indazole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F652-0168
N-(2H-1,3-benzodioxol-5-yl)-3-methyl-1H-indazole-1-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

F652-0168

Molecular Formula

C16H13N3O3 (C16 H13 N3 O3)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-3-methyl-1H-indazole-1-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-3-methyl-1H-indazole-1-carboxamide

SMILES

Cc1nn(C(Nc(cc2)cc3c2OCO3)=O)c2c1cccc2

InChI

InChI=1S/C16H13N3O3/c1-10-12-4-2-3-5-13(12)19(18-10)16(20)17-11-6-7-14-15(8-11)22-9-21-14/h2-8H,9H2,1H3,(H,17,20)

InChI Key

NDANKXMWQGWZPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27182888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.757

Distribution Coefficient, logD

2.757

Water Solubility, LogSw

-3.23

Polar Surface Area

53.292

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

F652-0168 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F652-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F652-0168?
Check Price and Availability of F652-0168, 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 F652-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F652-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F652-0168
  • 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 F652-0168 available by request