E581-1660 Screening compound: 4-(3,4-dimethylbenzenesulfonyl)-6-fluoro-3-(thiomorpholine-4-carbonyl)quinoline

E581-1660 Screening compound: 4-(3,4-dimethylbenzenesulfonyl)-6-fluoro-3-(thiomorpholine-4-carbonyl)quinoline
E581-1660 Screening compound: 4-(3,4-dimethylbenzenesulfonyl)-6-fluoro-3-(thiomorpholine-4-carbonyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E581-1660
4-(3,4-dimethylbenzenesulfonyl)-6-fluoro-3-(thiomorpholine-4-carbonyl)quinoline

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

E581-1660

Molecular Formula

C22H21FN2O3S2 (C22 H21 FN2 O3 S2)

Compound Name

4-(3,4-dimethylbenzenesulfonyl)-6-fluoro-3-(thiomorpholine-4-carbonyl)quinoline

IUPAC name

4-(34-dimethylbenzenesulfonyl)-6-fluoro-3-(thiomorpholine-4-carbonyl)quinoline

SMILES

Cc(cc1)c(C)cc1S(c(c1cc(F)ccc1nc1)c1C(N1CCSCC1)=O)(=O)=O

InChI

InChI=1S/C22H21FN2O3S2/c1-14-3-5-17(11-15(14)2)30(27,28)21-18-12-16(23)4-6-20(18)24-13-19(21)22(26)25-7-9-29-10-8-25/h3-6,11-13H,7-10H2,1-2H3

InChI Key

XQJXSVFGYOZGNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20754918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.810

Distribution Coefficient, logD

3.810

Water Solubility, LogSw

-3.77

Polar Surface Area

55.240

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E581-1660 in Drug Discovery

Included in Screening Libraries

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

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 E581-1660 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E581-1660?
Check Price and Availability of E581-1660, 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 E581-1660 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E581-1660
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E581-1660
  • 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 E581-1660 available by request