G853-0459 Screening compound: N-[2-(3-methylthiophen-2-yl)ethyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,2-dihydroquinolin-1-yl]acetamide

G853-0459 Screening compound: N-[2-(3-methylthiophen-2-yl)ethyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,2-dihydroquinolin-1-yl]acetamide
G853-0459 Screening compound: N-[2-(3-methylthiophen-2-yl)ethyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,2-dihydroquinolin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G853-0459
N-[2-(3-methylthiophen-2-yl)ethyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,2-dihydroquinolin-1-yl]acetamide

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

G853-0459

Molecular Formula

C22H25N3O4S2 (C22 H25 N3 O4 S2)

Compound Name

N-[2-(3-methylthiophen-2-yl)ethyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,2-dihydroquinolin-1-yl]acetamide

IUPAC name

N-[2-(3-methylthiophen-2-yl)ethyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-12-dihydroquinolin-1-yl]acetamide

SMILES

Cc1c(CCNC(CN(c(cc2)c(C=C3)cc2S(N2CCCC2)(=O)=O)C3=O)=O)scc1

InChI

InChI=1S/C22H25N3O4S2/c1-16-9-13-30-20(16)8-10-23-21(26)15-25-19-6-5-18(14-17(19)4-7-22(25)27)31(28,29)24-11-2-3-12-24/h4-7,9,13-14H,2-3,8,10-12,15H2,1H3,(H,23,26)

InChI Key

QZBNBWNBOBOVTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15040937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.463

Distribution Coefficient, logD

2.463

Water Solubility, LogSw

-2.97

Polar Surface Area

73.027

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G853-0459 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G853-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G853-0459?
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What is the minimum amount of G853-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G853-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G853-0459
  • 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 G853-0459 available by request