8020-0810 Screening compound: 2-{[1-(3-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

8020-0810 Screening compound: 2-{[1-(3-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one
8020-0810 Screening compound: 2-{[1-(3-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0810
2-{[1-(3-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

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

8020-0810

Molecular Formula

C20H21ClN6O2S (C20 H21 ClN6 O2 S)

Compound Name

2-{[1-(3-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-{[1-(3-chlorophenyl)-1H-1234-tetrazol-5-yl]sulfanyl}-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one

SMILES

COc(cccc1)c1N(CC1)CCN1C(CSc1nnnn1-c1cccc(Cl)c1)=O

InChI

InChI=1S/C20H21ClN6O2S/c1-29-18-8-3-2-7-17(18)25-9-11-26(12-10-25)19(28)14-30-20-22-23-24-27(20)16-6-4-5-15(21)13-16/h2-8,13H,9-12,14H2,1H3

InChI Key

TXEHNHLANIQMCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12034894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.429

Distribution Coefficient, logD

3.428

Water Solubility, LogSw

-3.71

Polar Surface Area

66.871

Acid Dissociation Constant (pKa)

20.24

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8020-0810 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8020-0810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0810?
Check Price and Availability of 8020-0810, 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 8020-0810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0810
  • 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 8020-0810 available by request