Y020-2521 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one

Y020-2521 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one
Y020-2521 Screening compound: 1-(1H-1,3-benzodiazol-2-yl)-6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-2521
1-(1H-1,3-benzodiazol-2-yl)-6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one

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

Y020-2521

Molecular Formula

C21H17FN4O (C21 H17 FN4 O)

Compound Name

1-(1H-1,3-benzodiazol-2-yl)-6-(4-fluorophenyl)-3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one

IUPAC name

1-(1H-13-benzodiazol-2-yl)-6-(4-fluorophenyl)-3-methyl-4567-tetrahydro-1H-indazol-4-one

SMILES

Cc(c(C(C1)=O)c2CC1c(cc1)ccc1F)nn2-c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C21H17FN4O/c1-12-20-18(10-14(11-19(20)27)13-6-8-15(22)9-7-13)26(25-12)21-23-16-4-2-3-5-17(16)24-21/h2-9,14H,10-11H2,1H3,(H,23,24)/t14-/m0/s1

InChI Key

CWARCWGWSFEGTE-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD10479265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.592

Distribution Coefficient, logD

3.548

Water Solubility, LogSw

-3.84

Polar Surface Area

45.756

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

Y020-2521 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-2521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-2521?
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What is the minimum amount of Y020-2521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-2521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-2521
  • 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 Y020-2521 available by request