E581-2545 Screening compound: N,N-diethyl-6-fluoro-4-(2-methylbenzenesulfonyl)quinoline-3-carboxamide

E581-2545 Screening compound: N,N-diethyl-6-fluoro-4-(2-methylbenzenesulfonyl)quinoline-3-carboxamide
E581-2545 Screening compound: N,N-diethyl-6-fluoro-4-(2-methylbenzenesulfonyl)quinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E581-2545
N,N-diethyl-6-fluoro-4-(2-methylbenzenesulfonyl)quinoline-3-carboxamide

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

E581-2545

Molecular Formula

C21H21FN2O3S (C21 H21 FN2 O3 S)

Compound Name

N,N-diethyl-6-fluoro-4-(2-methylbenzenesulfonyl)quinoline-3-carboxamide

IUPAC name

NN-diethyl-6-fluoro-4-(2-methylbenzenesulfonyl)quinoline-3-carboxamide

SMILES

CCN(CC)C(c(cnc(c1c2)ccc2F)c1S(c1c(C)cccc1)(=O)=O)=O

InChI

InChI=1S/C21H21FN2O3S/c1-4-24(5-2)21(25)17-13-23-18-11-10-15(22)12-16(18)20(17)28(26,27)19-9-7-6-8-14(19)3/h6-13H,4-5H2,1-3H3

InChI Key

MCBPDSCJRDVZBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.246

Distribution Coefficient, logD

3.246

Water Solubility, LogSw

-3.28

Polar Surface Area

54.524

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E581-2545 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E581-2545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E581-2545?
Check Price and Availability of E581-2545, 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 E581-2545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E581-2545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E581-2545
  • 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 E581-2545 available by request