D692-0111 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)ethan-1-one

D692-0111 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)ethan-1-one
D692-0111 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D692-0111
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)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

D692-0111

Molecular Formula

C27H23FN6OS (C27 H23 FN6 OS)

Compound Name

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-({5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl}sulfanyl)ethan-1-one

IUPAC name

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-({5-phenyl-[124]triazolo[43-c]quinazolin-3-yl}sulfanyl)ethan-1-one

SMILES

O=C(CSc1nnc2n1c(-c1ccccc1)nc1c2cccc1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C27H23FN6OS/c28-20-10-12-21(13-11-20)32-14-16-33(17-15-32)24(35)18-36-27-31-30-26-22-8-4-5-9-23(22)29-25(34(26)27)19-6-2-1-3-7-19/h1-13H,14-18H2

InChI Key

MCZCKSKCCCIBAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.804

Distribution Coefficient, logD

4.799

Water Solubility, LogSw

-4.99

Polar Surface Area

49.963

Acid Dissociation Constant (pKa)

19.00

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

D692-0111 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Akt-Targeted Library (14764 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D692-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D692-0111?
Check Price and Availability of D692-0111, 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 D692-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D692-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D692-0111
  • 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 D692-0111 available by request