C881-0483 Screening compound: N-(2-bromo-4,6-difluorophenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide

C881-0483 Screening compound: N-(2-bromo-4,6-difluorophenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide
C881-0483 Screening compound: N-(2-bromo-4,6-difluorophenyl)-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C881-0483
N-(2-bromo-4,6-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

C881-0483

Molecular Formula

C15H14BrF2N3O (C15 H14 BrF2 N3 O)

Compound Name

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

IUPAC name

N-(2-bromo-46-difluorophenyl)-2-(4567-tetrahydro-2H-indazol-2-yl)acetamide

SMILES

O=C(Cn1nc(CCCC2)c2c1)Nc(c(F)cc(F)c1)c1Br

InChI

InChI=1S/C15H14BrF2N3O/c16-11-5-10(17)6-12(18)15(11)19-14(22)8-21-7-9-3-1-2-4-13(9)20-21/h5-7H,1-4,8H2,(H,19,22)

InChI Key

GTNGJXDWBZGNPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.2

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

3.080

Distribution Coefficient, logD

2.986

Water Solubility, LogSw

-3.05

Polar Surface Area

37.695

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

C881-0483 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with C881-0483 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C881-0483?
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What is the minimum amount of C881-0483 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C881-0483
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C881-0483
  • 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 C881-0483 available by request