8013-2213 Screening compound: 4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 4-tert-butylbenzene-1-sulfonate

8013-2213 Screening compound: 4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 4-tert-butylbenzene-1-sulfonate
8013-2213 Screening compound: 4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 4-tert-butylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2213
4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 4-tert-butylbenzene-1-sulfonate

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

8013-2213

Molecular Formula

C21H19Cl2NO4S (C21 H19 Cl2 NO4 S)

Compound Name

4-[(3,5-dichloropyridin-2-yl)oxy]phenyl 4-tert-butylbenzene-1-sulfonate

IUPAC name

4-[(35-dichloropyridin-2-yl)oxy]phenyl 4-tert-butylbenzene-1-sulfonate

SMILES

CC(C)(C)c(cc1)ccc1S(Oc(cc1)ccc1Oc(ncc(Cl)c1)c1Cl)(=O)=O

InChI

InChI=1S/C21H19Cl2NO4S/c1-21(2,3)14-4-10-18(11-5-14)29(25,26)28-17-8-6-16(7-9-17)27-20-19(23)12-15(22)13-24-20/h4-13H,1-3H3

InChI Key

OUUWEHKSZORVEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.36

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

6.801

Distribution Coefficient, logD

6.801

Water Solubility, LogSw

-6.73

Polar Surface Area

52.643

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

8013-2213 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-2213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2213?
Check Price and Availability of 8013-2213, 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 8013-2213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2213
  • 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 8013-2213 available by request