C881-0413 Screening compound: N-(3-CHLORO-4-METHYLPHENYL)-2-(4567-TETRAHYDRO-2H-INDAZOL-2-YL)ACETAMIDE

C881-0413 Screening compound: N-(3-CHLORO-4-METHYLPHENYL)-2-(4567-TETRAHYDRO-2H-INDAZOL-2-YL)ACETAMIDE
C881-0413 Screening compound: N-(3-CHLORO-4-METHYLPHENYL)-2-(4567-TETRAHYDRO-2H-INDAZOL-2-YL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C881-0413
N-(3-CHLORO-4-METHYLPHENYL)-2-(4567-TETRAHYDRO-2H-INDAZOL-2-YL)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

C881-0413

Molecular Formula

C16H18ClN3O (C16 H18 ClN3 O)

Compound Name

N-(3-CHLORO-4-METHYLPHENYL)-2-(4567-TETRAHYDRO-2H-INDAZOL-2-YL)ACETAMIDE

IUPAC name

N-(3-chloro-4-methylphenyl)-2-(4567-tetrahydro-2H-indazol-2-yl)acetamide

SMILES

Cc(ccc(NC(Cn1nc(CCCC2)c2c1)=O)c1)c1Cl

InChI

InChI=1S/C16H18ClN3O/c1-11-6-7-13(8-14(11)17)18-16(21)10-20-9-12-4-2-3-5-15(12)19-20/h6-9H,2-5,10H2,1H3,(H,18,21)

InChI Key

ZOLMRLSCRWYOGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.79

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

4.044

Distribution Coefficient, logD

4.044

Water Solubility, LogSw

-4.20

Polar Surface Area

39.091

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C881-0413 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C881-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C881-0413?
Check Price and Availability of C881-0413, 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 C881-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C881-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C881-0413
  • 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 C881-0413 available by request