D475-1592 Screening compound: 4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D475-1592 Screening compound: 4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D475-1592 Screening compound: 4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D475-1592
4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-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

D475-1592

Molecular Formula

C22H21FN6O2S (C22 H21 FN6 O2 S)

Compound Name

4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-2-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

4-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-5-methyl-2-(thiophen-2-yl)-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

CC(N(CC(N(CC1)CCN1c(cc1)ccc1F)=O)c1nc(-c2cccs2)nn11)=CC1=O

InChI

InChI=1S/C22H21FN6O2S/c1-15-13-19(30)29-22(24-21(25-29)18-3-2-12-32-18)28(15)14-20(31)27-10-8-26(9-11-27)17-6-4-16(23)5-7-17/h2-7,12-13H,8-11,14H2,1H3

InChI Key

FZUBRLPQGAUIAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14831022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.794

Distribution Coefficient, logD

2.794

Water Solubility, LogSw

-3.06

Polar Surface Area

59.016

Acid Dissociation Constant (pKa)

19.54

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D475-1592 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D475-1592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D475-1592?
Check Price and Availability of D475-1592, 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 D475-1592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D475-1592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D475-1592
  • 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 D475-1592 available by request