E581-1804 Screening compound: 4-(4-tert-butylbenzenesulfonyl)-6-chloro-3-(piperidine-1-carbonyl)quinoline

E581-1804 Screening compound: 4-(4-tert-butylbenzenesulfonyl)-6-chloro-3-(piperidine-1-carbonyl)quinoline
E581-1804 Screening compound: 4-(4-tert-butylbenzenesulfonyl)-6-chloro-3-(piperidine-1-carbonyl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E581-1804
4-(4-tert-butylbenzenesulfonyl)-6-chloro-3-(piperidine-1-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

E581-1804

Molecular Formula

C25H27ClN2O3S (C25 H27 ClN2 O3 S)

Compound Name

4-(4-tert-butylbenzenesulfonyl)-6-chloro-3-(piperidine-1-carbonyl)quinoline

IUPAC name

4-(4-tert-butylbenzenesulfonyl)-6-chloro-3-(piperidine-1-carbonyl)quinoline

SMILES

CC(C)(C)c(cc1)ccc1S(c1c(cc(cc2)Cl)c2ncc1C(N1CCCCC1)=O)(=O)=O

InChI

InChI=1S/C25H27ClN2O3S/c1-25(2,3)17-7-10-19(11-8-17)32(30,31)23-20-15-18(26)9-12-22(20)27-16-21(23)24(29)28-13-5-4-6-14-28/h7-12,15-16H,4-6,13-14H2,1-3H3

InChI Key

ZCHXJOLRAWAWJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14900091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.902

Distribution Coefficient, logD

5.902

Water Solubility, LogSw

-5.92

Polar Surface Area

55.240

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

E581-1804 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E581-1804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E581-1804?
Check Price and Availability of E581-1804, 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 E581-1804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E581-1804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E581-1804
  • 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 E581-1804 available by request