V031-2559 Screening compound: N-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluoro-N-[2-(morpholin-4-yl)ethyl]benzamide

V031-2559 Screening compound: N-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluoro-N-[2-(morpholin-4-yl)ethyl]benzamide
V031-2559 Screening compound: N-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluoro-N-[2-(morpholin-4-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-2559
N-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluoro-N-[2-(morpholin-4-yl)ethyl]benzamide

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

V031-2559

Molecular Formula

C28H28ClFN4O3S (C28 H28 ClFN4 O3 S)

Compound Name

N-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluoro-N-[2-(morpholin-4-yl)ethyl]benzamide

IUPAC name

N-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-2-fluoro-N-[2-(morpholin-4-yl)ethyl]benzamide

SMILES

O=C(CN(CCN1CCOCC1)C(c(cccc1)c1F)=O)N(C(C1)c(cc2)ccc2Cl)N=C1c1cccs1

InChI

InChI=1S/C28H28ClFN4O3S/c29-21-9-7-20(8-10-21)25-18-24(26-6-3-17-38-26)31-34(25)27(35)19-33(12-11-32-13-15-37-16-14-32)28(36)22-4-1-2-5-23(22)30/h1-10,17,25H,11-16,18-19H2/t25-/m0/s1

InChI Key

PIUPQRQKKOIIKV-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19800422

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

555.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.343

Distribution Coefficient, logD

4.339

Water Solubility, LogSw

-4.94

Polar Surface Area

55.686

Acid Dissociation Constant (pKa)

18.75

Base Dissociation Constant (pKb)

5.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with V031-2559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-2559?
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What is the minimum amount of V031-2559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-2559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-2559
  • 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 V031-2559 available by request