C881-0379 Screening compound: N-(4-chlorophenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide

C881-0379 Screening compound: N-(4-chlorophenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide
C881-0379 Screening compound: N-(4-chlorophenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C881-0379
N-(4-chlorophenyl)-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

C881-0379

Molecular Formula

C15H16ClN3O (C15 H16 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cn1nc(CCCC2)c2c1)Nc(cc1)ccc1Cl

InChI

InChI=1S/C15H16ClN3O/c16-12-5-7-13(8-6-12)17-15(20)10-19-9-11-3-1-2-4-14(11)18-19/h5-9H,1-4,10H2,(H,17,20)

InChI Key

KTCMRXUHUIXGBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.76

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

3.249

Distribution Coefficient, logD

3.249

Water Solubility, LogSw

-3.63

Polar Surface Area

39.091

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

C881-0379 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C881-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C881-0379?
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What is the minimum amount of C881-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C881-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C881-0379
  • 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 C881-0379 available by request