F897-0789 Screening compound: 1-(5-bromofuran-2-carbonyl)-4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine

F897-0789 Screening compound: 1-(5-bromofuran-2-carbonyl)-4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
F897-0789 Screening compound: 1-(5-bromofuran-2-carbonyl)-4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F897-0789
1-(5-bromofuran-2-carbonyl)-4-[(1-ethyl-3,5-dimethyl-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

F897-0789

Molecular Formula

C16H21BrN4O4S (C16 H21 BrN4 O4 S)

Compound Name

1-(5-bromofuran-2-carbonyl)-4-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine

IUPAC name

1-(5-bromofuran-2-carbonyl)-4-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine

SMILES

CCn1nc(C)c(S(N(CC2)CCN2C(c(o2)ccc2Br)=O)(=O)=O)c1C

InChI

InChI=1S/C16H21BrN4O4S/c1-4-21-12(3)15(11(2)18-21)26(23,24)20-9-7-19(8-10-20)16(22)13-5-6-14(17)25-13/h5-6H,4,7-10H2,1-3H3

InChI Key

MVWQMPYOSJGDPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27202901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.084

Distribution Coefficient, logD

1.084

Water Solubility, LogSw

-2.24

Polar Surface Area

71.610

Acid Dissociation Constant (pKa)

27.46

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F897-0789 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F897-0789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F897-0789?
Check Price and Availability of F897-0789, 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 F897-0789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F897-0789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F897-0789
  • 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 F897-0789 available by request