F897-1036 Screening compound: 3-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazine-1-carbonyl)benzonitrile

F897-1036 Screening compound: 3-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazine-1-carbonyl)benzonitrile
F897-1036 Screening compound: 3-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazine-1-carbonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F897-1036
3-(4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazine-1-carbonyl)benzonitrile

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

F897-1036

Molecular Formula

C20H25N5O3S (C20 H25 N5 O3 S)

Compound Name

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

IUPAC name

3-(4-{[35-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazine-1-carbonyl)benzonitrile

SMILES

CC(C)n1nc(C)c(S(N(CC2)CCN2C(c2cc(C#N)ccc2)=O)(=O)=O)c1C

InChI

InChI=1S/C20H25N5O3S/c1-14(2)25-16(4)19(15(3)22-25)29(27,28)24-10-8-23(9-11-24)20(26)18-7-5-6-17(12-18)13-21/h5-7,12,14H,8-11H2,1-4H3

InChI Key

BCNWXAXILTUAMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27203053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.944

Distribution Coefficient, logD

0.944

Water Solubility, LogSw

-2.20

Polar Surface Area

80.483

Acid Dissociation Constant (pKa)

28.04

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with F897-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F897-1036?
Check Price and Availability of F897-1036, 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 F897-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F897-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F897-1036
  • 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 F897-1036 available by request