3950-0005 Screening compound: 1-butyl-1H,4H-chromeno[3,4-d][1,2,3]triazol-4-one

3950-0005 Screening compound: 1-butyl-1H,4H-chromeno[3,4-d][1,2,3]triazol-4-one
3950-0005 Screening compound: 1-butyl-1H,4H-chromeno[3,4-d][1,2,3]triazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3950-0005
1-butyl-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

3950-0005

Molecular Formula

C13H13N3O2 (C13 H13 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCn1nnc2c1-c(cccc1)c1OC2=O

InChI

InChI=1S/C13H13N3O2/c1-2-3-8-16-12-9-6-4-5-7-10(9)18-13(17)11(12)14-15-16/h4-7H,2-3,8H2,1H3

InChI Key

FKMPKVJKXUJIAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02601513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

243.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.184

Distribution Coefficient, logD

2.184

Water Solubility, LogSw

-2.85

Polar Surface Area

47.577

Acid Dissociation Constant (pKa)

25.69

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

3950-0005 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Structure:
  • Fragments
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3950-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3950-0005?
Check Price and Availability of 3950-0005, 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 3950-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3950-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3950-0005
  • 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 3950-0005 available by request