C725-0064 Screening compound: 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(quinazolin-4-ylsulfanyl)ethan-1-one

C725-0064 Screening compound: 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(quinazolin-4-ylsulfanyl)ethan-1-one
C725-0064 Screening compound: 1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(quinazolin-4-ylsulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C725-0064
1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(quinazolin-4-ylsulfanyl)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

C725-0064

Molecular Formula

C26H21FN4O2S (C26 H21 FN4 O2 S)

Compound Name

1-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(quinazolin-4-ylsulfanyl)ethan-1-one

IUPAC name

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

SMILES

COc(cc1)ccc1C(CC1c(cc2)ccc2F)=NN1C(CSc1ncnc2ccccc12)=O

InChI

InChI=1S/C26H21FN4O2S/c1-33-20-12-8-17(9-13-20)23-14-24(18-6-10-19(27)11-7-18)31(30-23)25(32)15-34-26-21-4-2-3-5-22(21)28-16-29-26/h2-13,16,24H,14-15H2,1H3/t24-/m0/s1

InChI Key

LKWHWIJDHCNTEE-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD04472687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.327

Distribution Coefficient, logD

5.327

Water Solubility, LogSw

-5.65

Polar Surface Area

53.787

Acid Dissociation Constant (pKa)

18.65

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with C725-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C725-0064?
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What is the minimum amount of C725-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C725-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C725-0064
  • 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 C725-0064 available by request