C718-2302 Screening compound: 1-[7-chloro-3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-phenylpiperazine

C718-2302 Screening compound: 1-[7-chloro-3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-phenylpiperazine
C718-2302 Screening compound: 1-[7-chloro-3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C718-2302
1-[7-chloro-3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-phenylpiperazine

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

C718-2302

Molecular Formula

C27H25ClN6O2S (C27 H25 ClN6 O2 S)

Compound Name

1-[7-chloro-3-(4-ethylbenzenesulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-yl]-4-phenylpiperazine

IUPAC name

1-[7-chloro-3-(4-ethylbenzenesulfonyl)-[123]triazolo[15-a]quinazolin-5-yl]-4-phenylpiperazine

SMILES

CCc(cc1)ccc1S(c(nnn1c(cc2)c3cc2Cl)c1nc3N(CC1)CCN1c1ccccc1)(=O)=O

InChI

InChI=1S/C27H25ClN6O2S/c1-2-19-8-11-22(12-9-19)37(35,36)27-26-29-25(23-18-20(28)10-13-24(23)34(26)31-30-27)33-16-14-32(15-17-33)21-6-4-3-5-7-21/h3-13,18H,2,14-17H2,1H3

InChI Key

VALYTMWWWNYYHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.05

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.574

Distribution Coefficient, logD

6.574

Water Solubility, LogSw

-6.33

Polar Surface Area

68.388

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C718-2302 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C718-2302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C718-2302?
Check Price and Availability of C718-2302, 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 C718-2302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C718-2302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C718-2302
  • 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 C718-2302 available by request