C725-0029 Screening compound: 2-(quinazolin-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C725-0029 Screening compound: 2-(quinazolin-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
C725-0029 Screening compound: 2-(quinazolin-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C725-0029
2-(quinazolin-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

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

C725-0029

Molecular Formula

C17H12F3N3O2S (C17 H12 F3 N3 O2 S)

Compound Name

2-(quinazolin-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

IUPAC name

2-(quinazolin-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

SMILES

O=C(CSc1ncnc2ccccc12)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C17H12F3N3O2S/c18-17(19,20)25-12-7-5-11(6-8-12)23-15(24)9-26-16-13-3-1-2-4-14(13)21-10-22-16/h1-8,10H,9H2,(H,23,24)

InChI Key

KBEBMTUTCSPPDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03950544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.448

Distribution Coefficient, logD

4.448

Water Solubility, LogSw

-4.47

Polar Surface Area

48.709

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

C725-0029 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C725-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C725-0029?
Check Price and Availability of C725-0029, 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 C725-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C725-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C725-0029
  • 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 C725-0029 available by request