C881-0702 Screening compound: 2-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)-N-(2-methylphenyl)acetamide

C881-0702 Screening compound: 2-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)-N-(2-methylphenyl)acetamide
C881-0702 Screening compound: 2-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C881-0702
2-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)-N-(2-methylphenyl)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

C881-0702

Molecular Formula

C17H21N3O (C17 H21 N3 O)

Compound Name

2-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)-N-(2-methylphenyl)acetamide

IUPAC name

2-(5-methyl-4567-tetrahydro-2H-indazol-2-yl)-N-(2-methylphenyl)acetamide

SMILES

CC1Cc2cn(CC(Nc3c(C)cccc3)=O)nc2CC1

InChI

InChI=1S/C17H21N3O/c1-12-7-8-16-14(9-12)10-20(19-16)11-17(21)18-15-6-4-3-5-13(15)2/h3-6,10,12H,7-9,11H2,1-2H3,(H,18,21)/t12-/m1/s1

InChI Key

XSJMDYXLEQWPNR-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD26966482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.907

Distribution Coefficient, logD

2.907

Water Solubility, LogSw

-3.01

Polar Surface Area

38.393

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

C881-0702 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Fragments Library (11262 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C881-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C881-0702?
Check Price and Availability of C881-0702, 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 C881-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C881-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C881-0702
  • 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 C881-0702 available by request