V028-6532 Screening compound: 2-[4-(2-fluorophenyl)piperazino]-1-[5-(2-furyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-ethanone

V028-6532 Screening compound: 2-[4-(2-fluorophenyl)piperazino]-1-[5-(2-furyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-ethanone
V028-6532 Screening compound: 2-[4-(2-fluorophenyl)piperazino]-1-[5-(2-furyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-6532
2-[4-(2-fluorophenyl)piperazino]-1-[5-(2-furyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-ethanone

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

V028-6532

Molecular Formula

C26H27FN4O3 (C26 H27 FN4 O3)

Compound Name

2-[4-(2-fluorophenyl)piperazino]-1-[5-(2-furyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1-ethanone

IUPAC name

2-[4-(2-fluorophenyl)piperazin-1-yl]-1-[5-(furan-2-yl)-3-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]ethan-1-one

SMILES

COc(cc1)ccc1C(CC1c2ccco2)=NN1C(CN(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C26H27FN4O3/c1-33-20-10-8-19(9-11-20)22-17-24(25-7-4-16-34-25)31(28-22)26(32)18-29-12-14-30(15-13-29)23-6-3-2-5-21(23)27/h2-11,16,24H,12-15,17-18H2,1H3/t24-/m0/s1

InChI Key

YCCAXMVSXCFBPZ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD20027404

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.032

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-4.13

Polar Surface Area

49.673

Acid Dissociation Constant (pKa)

23.54

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

V028-6532 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 V028-6532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-6532?
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What is the minimum amount of V028-6532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-6532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-6532
  • 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 V028-6532 available by request