8018-2148 Screening compound: N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)acetamide

8018-2148 Screening compound: N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)acetamide
8018-2148 Screening compound: N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2148
N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)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

8018-2148

Molecular Formula

C11H8N6O3 (C11 H8 N6 O3)

Compound Name

N-(6-cyano-2H-1,3-benzodioxol-5-yl)-2-(1H-1,2,3,4-tetrazol-1-yl)acetamide

IUPAC name

N-(6-cyano-2H-13-benzodioxol-5-yl)-2-(1H-1234-tetrazol-1-yl)acetamide

SMILES

N#Cc(cc1OCOc1c1)c1NC(Cn1nnnc1)=O

InChI

InChI=1S/C11H8N6O3/c12-3-7-1-9-10(20-6-19-9)2-8(7)14-11(18)4-17-5-13-15-16-17/h1-2,5H,4,6H2,(H,14,18)

InChI Key

NIYJIBCORZVMJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.527

Distribution Coefficient, logD

0.508

Water Solubility, LogSw

-2.06

Polar Surface Area

96.775

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8018-2148 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-2148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2148?
Check Price and Availability of 8018-2148, 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 8018-2148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2148
  • 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 8018-2148 available by request