0488-0458 Screening compound: 5-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazin-1-yl]-1H-1,2,3,4-tetrazole

0488-0458 Screening compound: 5-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazin-1-yl]-1H-1,2,3,4-tetrazole
0488-0458 Screening compound: 5-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazin-1-yl]-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0488-0458
5-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazin-1-yl]-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

0488-0458

Molecular Formula

C10H12N6O2 (C10 H12 N6 O2)

Compound Name

5-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazin-1-yl]-1H-1,2,3,4-tetrazole

IUPAC name

5-[(2E)-2-[(34-dimethoxyphenyl)methylidene]hydrazin-1-yl]-1H-1234-tetrazole

SMILES

COc(ccc(/C=N/Nc1nnn[nH]1)c1)c1OC

InChI

InChI=1S/C10H12N6O2/c1-17-8-4-3-7(5-9(8)18-2)6-11-12-10-13-15-16-14-10/h3-6H,1-2H3,(H2,12,13,14,15,16)

InChI Key

MUKQQHDEPPQVCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00544811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.743

Distribution Coefficient, logD

-0.124

Water Solubility, LogSw

-1.78

Polar Surface Area

88.155

Acid Dissociation Constant (pKa)

6.60

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0488-0458 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0488-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0488-0458?
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What is the minimum amount of 0488-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0488-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0488-0458
  • 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 0488-0458 available by request