G339-0948 Screening compound: 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-[(4-fluorophenyl)methyl]-1H-indazole

G339-0948 Screening compound: 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-[(4-fluorophenyl)methyl]-1H-indazole
G339-0948 Screening compound: 6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-[(4-fluorophenyl)methyl]-1H-indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G339-0948
6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-[(4-fluorophenyl)methyl]-1H-indazole

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

G339-0948

Molecular Formula

C27H27FN4O (C27 H27 FN4 O)

Compound Name

6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-[(4-fluorophenyl)methyl]-1H-indazole

IUPAC name

6-[4-(25-dimethylphenyl)piperazine-1-carbonyl]-1-[(4-fluorophenyl)methyl]-1H-indazole

SMILES

Cc1cc(N(CC2)CCN2C(c2cc(n(Cc(cc3)ccc3F)nc3)c3cc2)=O)c(C)cc1

InChI

InChI=1S/C27H27FN4O/c1-19-3-4-20(2)25(15-19)30-11-13-31(14-12-30)27(33)22-7-8-23-17-29-32(26(23)16-22)18-21-5-9-24(28)10-6-21/h3-10,15-17H,11-14,18H2,1-2H3

InChI Key

FRMFZGVNRUEUMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27136051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.997

Distribution Coefficient, logD

4.997

Water Solubility, LogSw

-4.79

Polar Surface Area

33.278

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

G339-0948 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G339-0948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G339-0948?
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What is the minimum amount of G339-0948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G339-0948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G339-0948
  • 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 G339-0948 available by request