G853-0103 Screening compound: 1-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-1,2-dihydroquinolin-2-one

G853-0103 Screening compound: 1-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-1,2-dihydroquinolin-2-one
G853-0103 Screening compound: 1-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G853-0103
1-{2-[4-(furan-2-carbonyl)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

G853-0103

Molecular Formula

C24H26N4O6S (C24 H26 N4 O6 S)

Compound Name

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

IUPAC name

1-{2-[4-(furan-2-carbonyl)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(c1ccco1)=O

InChI

InChI=1S/C24H26N4O6S/c29-22-8-5-18-16-19(35(32,33)27-9-1-2-10-27)6-7-20(18)28(22)17-23(30)25-11-13-26(14-12-25)24(31)21-4-3-15-34-21/h3-8,15-16H,1-2,9-14,17H2

InChI Key

OFCUBZCPLZMAPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15040872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.825

Distribution Coefficient, logD

0.825

Water Solubility, LogSw

-2.29

Polar Surface Area

89.123

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

G853-0103 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 G853-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G853-0103?
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What is the minimum amount of G853-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G853-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G853-0103
  • 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 G853-0103 available by request