V018-5082 Screening compound: 2-(4-ETHYLPIPERAZIN-1-YL)-1-[3-(4-FLUOROPHENYL)-5-(1-METHYL-1H-PYRROL-2-YL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]ETHAN-1-ONE

V018-5082 Screening compound: 2-(4-ETHYLPIPERAZIN-1-YL)-1-[3-(4-FLUOROPHENYL)-5-(1-METHYL-1H-PYRROL-2-YL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]ETHAN-1-ONE
V018-5082 Screening compound: 2-(4-ETHYLPIPERAZIN-1-YL)-1-[3-(4-FLUOROPHENYL)-5-(1-METHYL-1H-PYRROL-2-YL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5082
2-(4-ETHYLPIPERAZIN-1-YL)-1-[3-(4-FLUOROPHENYL)-5-(1-METHYL-1H-PYRROL-2-YL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]ETHAN-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

V018-5082

Molecular Formula

C22H28FN5O (C22 H28 FN5 O)

Compound Name

2-(4-ETHYLPIPERAZIN-1-YL)-1-[3-(4-FLUOROPHENYL)-5-(1-METHYL-1H-PYRROL-2-YL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]ETHAN-1-ONE

IUPAC name

2-(4-ethylpiperazin-1-yl)-1-[3-(4-fluorophenyl)-5-(1-methyl-1H-pyrrol-2-yl)-45-dihydro-1H-pyrazol-1-yl]ethan-1-one

SMILES

CCN1CCN(CC(N(C(C2)c3cccn3C)N=C2c(cc2)ccc2F)=O)CC1

InChI

InChI=1S/C22H28FN5O/c1-3-26-11-13-27(14-12-26)16-22(29)28-21(20-5-4-10-25(20)2)15-19(24-28)17-6-8-18(23)9-7-17/h4-10,21H,3,11-16H2,1-2H3/t21-/m1/s1

InChI Key

TXAMFNGETASBFY-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19885787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.770

Distribution Coefficient, logD

1.977

Water Solubility, LogSw

-2.61

Polar Surface Area

36.545

Acid Dissociation Constant (pKa)

23.18

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

V018-5082 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with V018-5082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5082?
Check Price and Availability of V018-5082, 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 V018-5082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5082
  • 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 V018-5082 available by request