F897-1044 Screening compound: 1-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}-4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine

F897-1044 Screening compound: 1-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}-4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine
F897-1044 Screening compound: 1-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}-4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F897-1044
1-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}-4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine

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

F897-1044

Molecular Formula

C23H32N4O4S (C23 H32 N4 O4 S)

Compound Name

1-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}-4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine

IUPAC name

1-{[35-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}-4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine

SMILES

CC(C)n1nc(C)c(S(N(CC2)CCN2C(C2(CC2)c(cc2)ccc2OC)=O)(=O)=O)c1C

InChI

InChI=1S/C23H32N4O4S/c1-16(2)27-18(4)21(17(3)24-27)32(29,30)26-14-12-25(13-15-26)22(28)23(10-11-23)19-6-8-20(31-5)9-7-19/h6-9,16H,10-15H2,1-5H3

InChI Key

KFYZEKHXRPYPIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27203060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.987

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-2.41

Polar Surface Area

71.223

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

F897-1044 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F897-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F897-1044?
Check Price and Availability of F897-1044, 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 F897-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F897-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F897-1044
  • 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 F897-1044 available by request