8013-6281 Screening compound: 1-{1-[4-(dimethylamino)-6-ethoxy-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}ethan-1-one

8013-6281 Screening compound: 1-{1-[4-(dimethylamino)-6-ethoxy-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazol-4-yl}ethan-1-one
8013-6281 Screening compound: 1-{1-[4-(dimethylamino)-6-ethoxy-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 8013-6281
1-{1-[4-(dimethylamino)-6-ethoxy-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

8013-6281

Molecular Formula

C12H17N7O2 (C12 H17 N7 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOc1nc(N(C)C)nc(-n2nnc(C(C)=O)c2C)n1

InChI

InChI=1S/C12H17N7O2/c1-6-21-12-14-10(18(4)5)13-11(15-12)19-7(2)9(8(3)20)16-17-19/h6H2,1-5H3

InChI Key

QWDKENMESWLNNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.655

Distribution Coefficient, logD

1.655

Water Solubility, LogSw

-1.55

Polar Surface Area

78.358

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8013-6281 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8013-6281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6281?
Check Price and Availability of 8013-6281, 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 8013-6281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6281
  • 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 8013-6281 available by request