D692-0582 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}ethan-1-one

D692-0582 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}ethan-1-one
D692-0582 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[5-(furan-2-yl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D692-0582
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-{[5-(furan-2-yl)-[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

D692-0582

Molecular Formula

C25H21FN6O2S (C25 H21 FN6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nnc2n1c(-c1ccco1)nc1c2cccc1)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C25H21FN6O2S/c26-18-7-2-4-9-20(18)30-11-13-31(14-12-30)22(33)16-35-25-29-28-23-17-6-1-3-8-19(17)27-24(32(23)25)21-10-5-15-34-21/h1-10,15H,11-14,16H2

InChI Key

BELADIQNRLGQAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

3.886

Water Solubility, LogSw

-4.10

Polar Surface Area

58.240

Acid Dissociation Constant (pKa)

19.00

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D692-0582 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 D692-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D692-0582?
Check Price and Availability of D692-0582, 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 D692-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D692-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D692-0582
  • 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 D692-0582 available by request