F898-0177 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

F898-0177 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
F898-0177 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F898-0177
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

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

F898-0177

Molecular Formula

C22H28FN5O4S (C22 H28 FN5 O4 S)

Compound Name

N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

IUPAC name

N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide

SMILES

CN(CC(N(CC1)CCN1c(cccc1)c1F)=O)S(c1c[nH]c(C(N2CCCC2)=O)c1)(=O)=O

InChI

InChI=1S/C22H28FN5O4S/c1-25(33(31,32)17-14-19(24-15-17)22(30)28-8-4-5-9-28)16-21(29)27-12-10-26(11-13-27)20-7-3-2-6-18(20)23/h2-3,6-7,14-15,24H,4-5,8-13,16H2,1H3

InChI Key

QKZYLUPNYWTYLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27203125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.550

Distribution Coefficient, logD

1.550

Water Solubility, LogSw

-2.71

Polar Surface Area

79.325

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

F898-0177 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F898-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F898-0177?
Check Price and Availability of F898-0177, 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 F898-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F898-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F898-0177
  • 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 F898-0177 available by request