C881-0426 Screening compound: N-(2-chloro-4-methylphenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide

C881-0426 Screening compound: N-(2-chloro-4-methylphenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide
C881-0426 Screening compound: N-(2-chloro-4-methylphenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C881-0426
N-(2-chloro-4-methylphenyl)-2-(4,5,6,7-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

C881-0426

Molecular Formula

C16H18ClN3O (C16 H18 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(Cl)c1NC(Cn1nc(CCCC2)c2c1)=O

InChI

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

InChI Key

YUIBPFLGWWGTJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804378

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

3.378

Distribution Coefficient, logD

3.378

Water Solubility, LogSw

-3.44

Polar Surface Area

38.393

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C881-0426 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C881-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C881-0426?
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What is the minimum amount of C881-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C881-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C881-0426
  • 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 C881-0426 available by request