F897-0756 Screening compound: 3-{4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carbonyl}-2H-chromen-2-one

F897-0756 Screening compound: 3-{4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carbonyl}-2H-chromen-2-one
F897-0756 Screening compound: 3-{4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carbonyl}-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F897-0756
3-{4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carbonyl}-2H-chromen-2-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

F897-0756

Molecular Formula

C21H24N4O5S (C21 H24 N4 O5 S)

Compound Name

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

IUPAC name

3-{4-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine-1-carbonyl}-2H-chromen-2-one

SMILES

CCn1nc(C)c(S(N(CC2)CCN2C(C2=Cc(cccc3)c3OC2=O)=O)(=O)=O)c1C

InChI

InChI=1S/C21H24N4O5S/c1-4-25-15(3)19(14(2)22-25)31(28,29)24-11-9-23(10-12-24)20(26)17-13-16-7-5-6-8-18(16)30-21(17)27/h5-8,13H,4,9-12H2,1-3H3

InChI Key

CVWWVDZYHDAPFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27202888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.799

Distribution Coefficient, logD

0.799

Water Solubility, LogSw

-2.03

Polar Surface Area

83.605

Acid Dissociation Constant (pKa)

27.46

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

F897-0756 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F897-0756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F897-0756?
Check Price and Availability of F897-0756, 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 F897-0756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F897-0756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F897-0756
  • 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 F897-0756 available by request