8016-9788 Screening compound: methyl 2-[4-(1H-1,2,3,4-tetraazol-1-yl)phenoxy]acetate

8016-9788 Screening compound: methyl 2-[4-(1H-1,2,3,4-tetraazol-1-yl)phenoxy]acetate
8016-9788 Screening compound: methyl 2-[4-(1H-1,2,3,4-tetraazol-1-yl)phenoxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9788
methyl 2-[4-(1H-1,2,3,4-tetraazol-1-yl)phenoxy]acetate

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

8016-9788

Molecular Formula

C10H10N4O3 (C10 H10 N4 O3)

Compound Name

methyl 2-[4-(1H-1,2,3,4-tetraazol-1-yl)phenoxy]acetate

IUPAC name

methyl 2-[4-(1H-1234-tetrazol-1-yl)phenoxy]acetate

SMILES

COC(COc(cc1)ccc1-n1nnnc1)=O

InChI

InChI=1S/C10H10N4O3/c1-16-10(15)6-17-9-4-2-8(3-5-9)14-7-11-12-13-14/h2-5,7H,6H2,1H3

InChI Key

KSMXHVYRSWXXPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.697

Distribution Coefficient, logD

0.697

Water Solubility, LogSw

-1.43

Polar Surface Area

68.082

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8016-9788 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 8016-9788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9788?
Check Price and Availability of 8016-9788, 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 8016-9788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9788
  • 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 8016-9788 available by request