F897-1074 Screening compound: 1-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazin-1-yl)-2-(4-methoxyphenoxy)ethan-1-one

F897-1074 Screening compound: 1-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazin-1-yl)-2-(4-methoxyphenoxy)ethan-1-one
F897-1074 Screening compound: 1-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazin-1-yl)-2-(4-methoxyphenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F897-1074
1-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazin-1-yl)-2-(4-methoxyphenoxy)ethan-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

F897-1074

Molecular Formula

C21H30N4O5S (C21 H30 N4 O5 S)

Compound Name

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

IUPAC name

1-(4-{[35-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazin-1-yl)-2-(4-methoxyphenoxy)ethan-1-one

SMILES

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

InChI

InChI=1S/C21H30N4O5S/c1-15(2)25-17(4)21(16(3)22-25)31(27,28)24-12-10-23(11-13-24)20(26)14-30-19-8-6-18(29-5)7-9-19/h6-9,15H,10-14H2,1-5H3

InChI Key

ZESBEWWRPNEMEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27203080

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.170

Distribution Coefficient, logD

1.170

Water Solubility, LogSw

-2.21

Polar Surface Area

77.943

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

F897-1074 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F897-1074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F897-1074?
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What is the minimum amount of F897-1074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F897-1074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F897-1074
  • 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 F897-1074 available by request