G853-0092 Screening compound: 1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-1,2-dihydroquinolin-2-one

G853-0092 Screening compound: 1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-1,2-dihydroquinolin-2-one
G853-0092 Screening compound: 1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G853-0092
1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-1,2-dihydroquinolin-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

G853-0092

Molecular Formula

C25H27FN4O4S (C25 H27 FN4 O4 S)

Compound Name

1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-1,2-dihydroquinolin-2-one

IUPAC name

1-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-12-dihydroquinolin-2-one

SMILES

O=C(CN(c(cc1)c(C=C2)cc1S(N1CCCC1)(=O)=O)C2=O)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C25H27FN4O4S/c26-20-4-6-21(7-5-20)27-13-15-28(16-14-27)25(32)18-30-23-9-8-22(17-19(23)3-10-24(30)31)35(33,34)29-11-1-2-12-29/h3-10,17H,1-2,11-16,18H2

InChI Key

XXJRJGUPKAKRPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15040867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

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

2.402

Distribution Coefficient, logD

2.402

Water Solubility, LogSw

-3.04

Polar Surface Area

67.349

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

G853-0092 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G853-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G853-0092?
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What is the minimum amount of G853-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G853-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G853-0092
  • 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 G853-0092 available by request