C881-0455 Screening compound: N-(2,5-difluorophenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide

C881-0455 Screening compound: N-(2,5-difluorophenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide
C881-0455 Screening compound: N-(2,5-difluorophenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C881-0455
N-(2,5-difluorophenyl)-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

C881-0455

Molecular Formula

C15H15F2N3O (C15 H15 F2 N3 O)

Compound Name

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

IUPAC name

N-(25-difluorophenyl)-2-(4567-tetrahydro-2H-indazol-2-yl)acetamide

SMILES

O=C(Cn1nc(CCCC2)c2c1)Nc(cc(cc1)F)c1F

InChI

InChI=1S/C15H15F2N3O/c16-11-5-6-12(17)14(7-11)18-15(21)9-20-8-10-3-1-2-4-13(10)19-20/h5-8H,1-4,9H2,(H,18,21)

InChI Key

FUKWPWRWBWZITR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.3

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

2.821

Distribution Coefficient, logD

2.808

Water Solubility, LogSw

-3.04

Polar Surface Area

38.393

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

C881-0455 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C881-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C881-0455?
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What is the minimum amount of C881-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C881-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C881-0455
  • 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 C881-0455 available by request