8013-2839 Screening compound: 1-{1-[4-(dibutylamino)-6-methoxy-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}ethan-1-one

8013-2839 Screening compound: 1-{1-[4-(dibutylamino)-6-methoxy-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}ethan-1-one
8013-2839 Screening compound: 1-{1-[4-(dibutylamino)-6-methoxy-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2839
1-{1-[4-(dibutylamino)-6-methoxy-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-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

8013-2839

Molecular Formula

C17H27N7O2 (C17 H27 N7 O2)

Compound Name

1-{1-[4-(dibutylamino)-6-methoxy-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}ethan-1-one

IUPAC name

1-{1-[4-(dibutylamino)-6-methoxy-135-triazin-2-yl]-5-methyl-1H-123-triazol-4-yl}ethan-1-one

SMILES

CCCCN(CCCC)c1nc(-n2nnc(C(C)=O)c2C)nc(OC)n1

InChI

InChI=1S/C17H27N7O2/c1-6-8-10-23(11-9-7-2)15-18-16(20-17(19-15)26-5)24-12(3)14(13(4)25)21-22-24/h6-11H2,1-5H3

InChI Key

IWNYLMFXSVKGTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.204

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-3.88

Polar Surface Area

79.217

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

9.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.70

8013-2839 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8013-2839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2839?
Check Price and Availability of 8013-2839, 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 8013-2839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2839
  • 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 8013-2839 available by request