V019-3121 Screening compound: 3-(1-benzyl-1H-indol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-(2-fluoro-5-methylphenyl)propan-1-one

V019-3121 Screening compound: 3-(1-benzyl-1H-indol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-(2-fluoro-5-methylphenyl)propan-1-one
V019-3121 Screening compound: 3-(1-benzyl-1H-indol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-(2-fluoro-5-methylphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-3121
3-(1-benzyl-1H-indol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-(2-fluoro-5-methylphenyl)propan-1-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

V019-3121

Molecular Formula

C31H34FN3O (C31 H34 FN3 O)

Compound Name

3-(1-benzyl-1H-indol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-(2-fluoro-5-methylphenyl)propan-1-one

IUPAC name

3-(1-benzyl-1H-indol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-(2-fluoro-5-methylphenyl)propan-1-one

SMILES

CCN(CC1)CCN1C(CC(c1cn(Cc2ccccc2)c2c1cccc2)c(cc(C)cc1)c1F)=O

InChI

InChI=1S/C31H34FN3O/c1-3-33-15-17-34(18-16-33)31(36)20-26(27-19-23(2)13-14-29(27)32)28-22-35(21-24-9-5-4-6-10-24)30-12-8-7-11-25(28)30/h4-14,19,22,26H,3,15-18,20-21H2,1-2H3/t26-/m1/s1

InChI Key

AKANKIKYMZLTAE-AREMUKBSSA-N

MDL Number (MFCD)

MFCD20493241

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

483.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.548

Distribution Coefficient, logD

5.227

Water Solubility, LogSw

-5.52

Polar Surface Area

21.357

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.30

V019-3121 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Indole Derivatives (10091 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V019-3121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-3121?
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What is the minimum amount of V019-3121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-3121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-3121
  • 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 V019-3121 available by request