F897-1034 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazine

F897-1034 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazine
F897-1034 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-4-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F897-1034
1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-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

F897-1034

Molecular Formula

C21H28N4O5S (C21 H28 N4 O5 S)

Compound Name

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

IUPAC name

1-(23-dihydro-14-benzodioxine-2-carbonyl)-4-{[35-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}piperazine

SMILES

CC(C)n1nc(C)c(S(N(CC2)CCN2C(C2Oc(cccc3)c3OC2)=O)(=O)=O)c1C

InChI

InChI=1S/C21H28N4O5S/c1-14(2)25-16(4)20(15(3)22-25)31(27,28)24-11-9-23(10-12-24)21(26)19-13-29-17-7-5-6-8-18(17)30-19/h5-8,14,19H,9-13H2,1-4H3/t19-/m0/s1

InChI Key

IOOKVOCQWWYXKA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27203051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.542

Distribution Coefficient, logD

1.542

Water Solubility, LogSw

-2.31

Polar Surface Area

78.864

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

F897-1034 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F897-1034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F897-1034?
Check Price and Availability of F897-1034, 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 F897-1034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F897-1034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F897-1034
  • 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 F897-1034 available by request