8019-8135 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide

8019-8135 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide
8019-8135 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-8135
N-[2-(4-chlorophenyl)ethyl]-2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}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

8019-8135

Molecular Formula

C21H17ClFN5O2S (C21 H17 ClFN5 O2 S)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-{[8-(4-fluorophenyl)-4-oxo-3H,4H-pyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-{[8-(4-fluorophenyl)-4-oxo-3H4H-pyrazolo[15-a][135]triazin-2-yl]sulfanyl}acetamide

SMILES

O=C(CSC(NC(n1nc2)=O)=Nc1c2-c(cc1)ccc1F)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C21H17ClFN5O2S/c22-15-5-1-13(2-6-15)9-10-24-18(29)12-31-20-26-19-17(11-25-28(19)21(30)27-20)14-3-7-16(23)8-4-14/h1-8,11H,9-10,12H2,(H,24,29)(H,26,27,30)

InChI Key

SCACWGUIVULRHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12033654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.718

Distribution Coefficient, logD

3.701

Water Solubility, LogSw

-4.46

Polar Surface Area

71.604

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8019-8135 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 8019-8135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-8135?
Check Price and Availability of 8019-8135, 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 8019-8135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-8135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-8135
  • 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 8019-8135 available by request