7653-0008 Screening compound: 4-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol

7653-0008 Screening compound: 4-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol
7653-0008 Screening compound: 4-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7653-0008
4-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol

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

7653-0008

Molecular Formula

C12H12N4O2S (C12 H12 N4 O2 S)

Compound Name

4-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol

IUPAC name

4-{[1-(4-methoxyphenyl)-1H-1234-tetrazol-5-yl]sulfanyl}but-2-yn-1-ol

SMILES

COc(cc1)ccc1-n1nnnc1SCC#CCO

InChI

InChI=1S/C12H12N4O2S/c1-18-11-6-4-10(5-7-11)16-12(13-14-15-16)19-9-3-2-8-17/h4-7,17H,8-9H2,1H3

InChI Key

RBNGKASQYOPSIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06193778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.728

Distribution Coefficient, logD

1.728

Water Solubility, LogSw

-1.98

Polar Surface Area

64.360

Acid Dissociation Constant (pKa)

15.49

Base Dissociation Constant (pKb)

-2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

7653-0008 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Akt-Targeted Library (14764 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7653-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7653-0008?
Check Price and Availability of 7653-0008, 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 7653-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7653-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7653-0008
  • 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 7653-0008 available by request