6646-0144 Screening compound: 2-{[1-(3-hydroxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide

6646-0144 Screening compound: 2-{[1-(3-hydroxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide
6646-0144 Screening compound: 2-{[1-(3-hydroxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6646-0144
2-{[1-(3-hydroxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide

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

6646-0144

Molecular Formula

C9H9N5O2S (C9 H9 N5 O2 S)

Compound Name

2-{[1-(3-hydroxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamide

IUPAC name

2-{[1-(3-hydroxyphenyl)-1H-1234-tetrazol-5-yl]sulfanyl}acetamide

SMILES

NC(CSc1nnnn1-c1cc(O)ccc1)=O

InChI

InChI=1S/C9H9N5O2S/c10-8(16)5-17-9-11-12-13-14(9)6-2-1-3-7(15)4-6/h1-4,15H,5H2,(H2,10,16)

InChI Key

ZDGUCQVTNKJVIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.430

Distribution Coefficient, logD

0.429

Water Solubility, LogSw

-1.58

Polar Surface Area

91.165

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

6646-0144 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6646-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6646-0144?
Check Price and Availability of 6646-0144, 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 6646-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6646-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6646-0144
  • 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 6646-0144 available by request