V028-4559 Screening compound: 2-chloro-N-{2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylbenzamide

V028-4559 Screening compound: 2-chloro-N-{2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylbenzamide
V028-4559 Screening compound: 2-chloro-N-{2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4559
2-chloro-N-{2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylbenzamide

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

V028-4559

Molecular Formula

C26H23ClFN3O3 (C26 H23 ClFN3 O3)

Compound Name

2-chloro-N-{2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylbenzamide

IUPAC name

2-chloro-N-{2-[3-(4-fluorophenyl)-5-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-N-methylbenzamide

SMILES

CN(CC(N(C(C1)c(cc2)ccc2OC)N=C1c(cc1)ccc1F)=O)C(c(cccc1)c1Cl)=O

InChI

InChI=1S/C26H23ClFN3O3/c1-30(26(33)21-5-3-4-6-22(21)27)16-25(32)31-24(18-9-13-20(34-2)14-10-18)15-23(29-31)17-7-11-19(28)12-8-17/h3-14,24H,15-16H2,1-2H3/t24-/m0/s1

InChI Key

BGYUTBNBSUPPKE-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19806694

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

479.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.524

Water Solubility, LogSw

-4.66

Polar Surface Area

50.553

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

-4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V028-4559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4559?
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What is the minimum amount of V028-4559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4559
  • 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 V028-4559 available by request