8020-4693 Screening compound: 5-ethoxy-1-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazole

8020-4693 Screening compound: 5-ethoxy-1-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazole
8020-4693 Screening compound: 5-ethoxy-1-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4693
5-ethoxy-1-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazole

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

8020-4693

Molecular Formula

C10H12N4O3 (C10 H12 N4 O3)

Compound Name

5-ethoxy-1-(4-nitrophenyl)-4,5-dihydro-1H-1,2,3-triazole

IUPAC name

5-ethoxy-1-(4-nitrophenyl)-45-dihydro-1H-123-triazole

SMILES

CCOC1N(c(cc2)ccc2[N+]([O-])=O)N=NC1

InChI

InChI=1S/C10H12N4O3/c1-2-17-10-7-11-12-13(10)8-3-5-9(6-4-8)14(15)16/h3-6,10H,2,7H2,1H3/t10-/m0/s1

InChI Key

JFUPSNOWOQKVOO-JTQLQIEISA-N

MDL Number (MFCD)

MFCD25975827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.230

Distribution Coefficient, logD

2.230

Water Solubility, LogSw

-2.29

Polar Surface Area

68.267

Acid Dissociation Constant (pKa)

22.96

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

8020-4693 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-4693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4693?
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What is the minimum amount of 8020-4693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4693
  • 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 8020-4693 available by request