F138-0224 Screening compound: 1-{7-methoxy-1H,4H,5H-benzo[g]indazole-3-carbonyl}-4-{[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine

F138-0224 Screening compound: 1-{7-methoxy-1H,4H,5H-benzo[g]indazole-3-carbonyl}-4-{[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
F138-0224 Screening compound: 1-{7-methoxy-1H,4H,5H-benzo[g]indazole-3-carbonyl}-4-{[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F138-0224
1-{7-methoxy-1H,4H,5H-benzo[g]indazole-3-carbonyl}-4-{[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}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

F138-0224

Molecular Formula

C28H30N6O3 (C28 H30 N6 O3)

Compound Name

1-{7-methoxy-1H,4H,5H-benzo[g]indazole-3-carbonyl}-4-{[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine

IUPAC name

1-{7-methoxy-1H4H5H-benzo[g]indazole-3-carbonyl}-4-{[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine

SMILES

COc(cc1)ccc1-c1c(CN(CC2)CCN2C(c2n[nH]c-3c2CCc2c3ccc(OC)c2)=O)cn[nH]1

InChI

InChI=1S/C28H30N6O3/c1-36-21-6-3-18(4-7-21)25-20(16-29-30-25)17-33-11-13-34(14-12-33)28(35)27-24-9-5-19-15-22(37-2)8-10-23(19)26(24)31-32-27/h3-4,6-8,10,15-16H,5,9,11-14,17H2,1-2H3,(H,29,30)(H,31,32)

InChI Key

MKDVURHADORQSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14942868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.764

Distribution Coefficient, logD

3.426

Water Solubility, LogSw

-3.97

Polar Surface Area

83.747

Acid Dissociation Constant (pKa)

6.65

Base Dissociation Constant (pKb)

7.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

F138-0224 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F138-0224 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F138-0224?
Check Price and Availability of F138-0224, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F138-0224 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F138-0224
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F138-0224
  • 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 F138-0224 available by request