3950-0010 Screening compound: 1-pentyl-1H,4H-chromeno[3,4-d][1,2,3]triazol-4-one

3950-0010 Screening compound: 1-pentyl-1H,4H-chromeno[3,4-d][1,2,3]triazol-4-one
3950-0010 Screening compound: 1-pentyl-1H,4H-chromeno[3,4-d][1,2,3]triazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3950-0010
1-pentyl-1H,4H-chromeno[3,4-d][1,2,3]triazol-4-one

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

3950-0010

Molecular Formula

C14H15N3O2 (C14 H15 N3 O2)

Compound Name

1-pentyl-1H,4H-chromeno[3,4-d][1,2,3]triazol-4-one

IUPAC name

1-pentyl-1H4H-chromeno[34-d][123]triazol-4-one

SMILES

CCCCCn1nnc2c1-c(cccc1)c1OC2=O

InChI

InChI=1S/C14H15N3O2/c1-2-3-6-9-17-13-10-7-4-5-8-11(10)19-14(18)12(13)15-16-17/h4-5,7-8H,2-3,6,9H2,1H3

InChI Key

LHDPKWKYGBRRCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02601517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.831

Distribution Coefficient, logD

2.831

Water Solubility, LogSw

-3.33

Polar Surface Area

47.577

Acid Dissociation Constant (pKa)

25.99

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

3950-0010 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3950-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3950-0010?
Check Price and Availability of 3950-0010, 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 3950-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3950-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3950-0010
  • 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 3950-0010 available by request