6855-0397 Screening compound: 1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one

6855-0397 Screening compound: 1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one
6855-0397 Screening compound: 1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6855-0397
1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-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

6855-0397

Molecular Formula

C15H13ClN4O2 (C15 H13 ClN4 O2)

Compound Name

1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one

IUPAC name

n/a

SMILES

CC(n1nc(-c(cc2)ccc2Cl)nc1NCc1ccco1)=O

InChI

InChI=1S/C15H13ClN4O2/c1-10(21)20-15(17-9-13-3-2-8-22-13)18-14(19-20)11-4-6-12(16)7-5-11/h2-8H,9H2,1H3,(H,17,18,19)

InChI Key

SPHWWMPOMXUSOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04356498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.321

Distribution Coefficient, logD

3.321

Water Solubility, LogSw

-3.88

Polar Surface Area

57.715

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

6855-0397 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 6855-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6855-0397?
Check Price and Availability of 6855-0397, 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 6855-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6855-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6855-0397
  • 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 6855-0397 available by request