F897-1068 Screening compound: (2E)-1-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazin-1-yl)-3-phenylprop-2-en-1-one

F897-1068 Screening compound: (2E)-1-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazin-1-yl)-3-phenylprop-2-en-1-one
F897-1068 Screening compound: (2E)-1-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazin-1-yl)-3-phenylprop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F897-1068
(2E)-1-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazin-1-yl)-3-phenylprop-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

F897-1068

Molecular Formula

C21H28N4O3S (C21 H28 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)n1nc(C)c(S(N(CC2)CCN2C(/C=C/c2ccccc2)=O)(=O)=O)c1C

InChI

InChI=1S/C21H28N4O3S/c1-16(2)25-18(4)21(17(3)22-25)29(27,28)24-14-12-23(13-15-24)20(26)11-10-19-8-6-5-7-9-19/h5-11,16H,12-15H2,1-4H3

InChI Key

LZRWWPOWVKSMFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27203074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

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

2.108

Distribution Coefficient, logD

2.108

Water Solubility, LogSw

-2.50

Polar Surface Area

62.900

Acid Dissociation Constant (pKa)

28.04

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F897-1068 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with F897-1068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F897-1068?
Check Price and Availability of F897-1068, 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 F897-1068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F897-1068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F897-1068
  • 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 F897-1068 available by request