F897-1072 Screening compound: (2E)-1-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazin-1-yl)-3-(thiophen-2-yl)prop-2-en-1-one

F897-1072 Screening compound: (2E)-1-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazin-1-yl)-3-(thiophen-2-yl)prop-2-en-1-one
F897-1072 Screening compound: (2E)-1-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazin-1-yl)-3-(thiophen-2-yl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F897-1072
(2E)-1-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazin-1-yl)-3-(thiophen-2-yl)prop-2-en-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

F897-1072

Molecular Formula

C19H26N4O3S2 (C19 H26 N4 O3 S2)

Compound Name

(2E)-1-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazin-1-yl)-3-(thiophen-2-yl)prop-2-en-1-one

IUPAC name

(2E)-1-(4-{[35-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazin-1-yl)-3-(thiophen-2-yl)prop-2-en-1-one

SMILES

CC(C)n1nc(C)c(S(N(CC2)CCN2C(/C=C/c2cccs2)=O)(=O)=O)c1C

InChI

InChI=1S/C19H26N4O3S2/c1-14(2)23-16(4)19(15(3)20-23)28(25,26)22-11-9-21(10-12-22)18(24)8-7-17-6-5-13-27-17/h5-8,13-14H,9-12H2,1-4H3

InChI Key

GLLUGNSNKINUAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27203078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.567

Distribution Coefficient, logD

1.567

Water Solubility, LogSw

-2.31

Polar Surface Area

63.918

Acid Dissociation Constant (pKa)

28.04

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

F897-1072 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with F897-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F897-1072?
Check Price and Availability of F897-1072, 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 F897-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F897-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F897-1072
  • 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 F897-1072 available by request