C590-0484 Screening compound: 1-{1H,4H,5H-benzo[g]indazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

C590-0484 Screening compound: 1-{1H,4H,5H-benzo[g]indazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
C590-0484 Screening compound: 1-{1H,4H,5H-benzo[g]indazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C590-0484
1-{1H,4H,5H-benzo[g]indazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

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

C590-0484

Molecular Formula

C23H21F3N4O (C23 H21 F3 N4 O)

Compound Name

1-{1H,4H,5H-benzo[g]indazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-{1H4H5H-benzo[g]indazole-3-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

O=C(c1n[nH]c-2c1CCc1c2cccc1)N(CC1)CCN1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C23H21F3N4O/c24-23(25,26)16-5-3-6-17(14-16)29-10-12-30(13-11-29)22(31)21-19-9-8-15-4-1-2-7-18(15)20(19)27-28-21/h1-7,14H,8-13H2,(H,27,28)

InChI Key

KBEZVAAJOAYTOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.526

Distribution Coefficient, logD

4.526

Water Solubility, LogSw

-4.39

Polar Surface Area

44.189

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C590-0484 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C590-0484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C590-0484?
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What is the minimum amount of C590-0484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C590-0484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C590-0484
  • 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 C590-0484 available by request