C725-0065 Screening compound: 1-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(quinazolin-4-ylsulfanyl)ethan-1-one

C725-0065 Screening compound: 1-[3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(quinazolin-4-ylsulfanyl)ethan-1-one
C725-0065 Screening compound: 1-[3,5-bis(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 C725-0065
1-[3,5-bis(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

C725-0065

Molecular Formula

C27H24N4O3S (C27 H24 N4 O3 S)

Compound Name

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

IUPAC name

1-[35-bis(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-(quinazolin-4-ylsulfanyl)ethan-1-one

SMILES

COc1ccc(C(C2)N(C(CSc3ncnc4ccccc34)=O)N=C2c(cc2)ccc2OC)cc1

InChI

InChI=1S/C27H24N4O3S/c1-33-20-11-7-18(8-12-20)24-15-25(19-9-13-21(34-2)14-10-19)31(30-24)26(32)16-35-27-22-5-3-4-6-23(22)28-17-29-27/h3-14,17,25H,15-16H2,1-2H3/t25-/m0/s1

InChI Key

HHPKHCRLCDLLID-VWLOTQADSA-N

MDL Number (MFCD)

MFCD04472688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.280

Distribution Coefficient, logD

5.280

Water Solubility, LogSw

-5.47

Polar Surface Area

61.331

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

C725-0065 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 C725-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C725-0065?
Check Price and Availability of C725-0065, 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 C725-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C725-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C725-0065
  • 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 C725-0065 available by request