8019-3712 Screening compound: 1-(3-methoxy-5-nitrophenyl)-1H-1,2,3,4-tetrazole

8019-3712 Screening compound: 1-(3-methoxy-5-nitrophenyl)-1H-1,2,3,4-tetrazole
8019-3712 Screening compound: 1-(3-methoxy-5-nitrophenyl)-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-3712
1-(3-methoxy-5-nitrophenyl)-1H-1,2,3,4-tetrazole

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

8019-3712

Molecular Formula

C8H7N5O3 (C8 H7 N5 O3)

Compound Name

1-(3-methoxy-5-nitrophenyl)-1H-1,2,3,4-tetrazole

IUPAC name

1-(3-methoxy-5-nitrophenyl)-1H-1234-tetrazole

SMILES

COc1cc(-n2nnnc2)cc([N+]([O-])=O)c1

InChI

InChI=1S/C8H7N5O3/c1-16-8-3-6(12-5-9-10-11-12)2-7(4-8)13(14)15/h2-5H,1H3

InChI Key

VCQQRANUVNZJSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.18

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.505

Distribution Coefficient, logD

1.505

Water Solubility, LogSw

-1.53

Polar Surface Area

80.929

Acid Dissociation Constant (pKa)

32.86

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8019-3712 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-3712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-3712?
Check Price and Availability of 8019-3712, 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 8019-3712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-3712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-3712
  • 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 8019-3712 available by request