F897-0954 Screening compound: 1-(3,4-difluorobenzoyl)-4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazine

F897-0954 Screening compound: 1-(3,4-difluorobenzoyl)-4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazine
F897-0954 Screening compound: 1-(3,4-difluorobenzoyl)-4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F897-0954
1-(3,4-difluorobenzoyl)-4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}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

F897-0954

Molecular Formula

C19H24F2N4O3S (C19 H24 F2 N4 O3 S)

Compound Name

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

IUPAC name

1-(34-difluorobenzoyl)-4-{[35-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazine

SMILES

CC(C)n1nc(C)c(S(N(CC2)CCN2C(c(cc2)cc(F)c2F)=O)(=O)=O)c1C

InChI

InChI=1S/C19H24F2N4O3S/c1-12(2)25-14(4)18(13(3)22-25)29(27,28)24-9-7-23(8-10-24)19(26)15-5-6-16(20)17(21)11-15/h5-6,11-12H,7-10H2,1-4H3

InChI Key

ZKLXKUDOXSWGQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27202988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.699

Distribution Coefficient, logD

1.699

Water Solubility, LogSw

-2.45

Polar Surface Area

63.427

Acid Dissociation Constant (pKa)

28.04

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

F897-0954 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 F897-0954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F897-0954?
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What is the minimum amount of F897-0954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F897-0954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F897-0954
  • 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 F897-0954 available by request