6043-0008 Screening compound: 2-{4-amino-6-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,5-triazin-2-yl}phenol

6043-0008 Screening compound: 2-{4-amino-6-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,5-triazin-2-yl}phenol
6043-0008 Screening compound: 2-{4-amino-6-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,5-triazin-2-yl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6043-0008
2-{4-amino-6-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,5-triazin-2-yl}phenol

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

6043-0008

Molecular Formula

C20H20N4O4 (C20 H20 N4 O4)

Compound Name

2-{4-amino-6-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3,5-triazin-2-yl}phenol

IUPAC name

2-{4-amino-6-[(1E)-2-(345-trimethoxyphenyl)ethenyl]-135-triazin-2-yl}phenol

SMILES

COc1cc(/C=C/c2nc(N)nc(-c(cccc3)c3O)n2)cc(OC)c1OC

InChI

InChI=1S/C20H20N4O4/c1-26-15-10-12(11-16(27-2)18(15)28-3)8-9-17-22-19(24-20(21)23-17)13-6-4-5-7-14(13)25/h4-11,25H,1-3H3,(H2,21,22,23,24)

InChI Key

DOYPSRFPUZDNMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03643681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.311

Distribution Coefficient, logD

3.311

Water Solubility, LogSw

-3.38

Polar Surface Area

90.544

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

6043-0008 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6043-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6043-0008?
Check Price and Availability of 6043-0008, 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 6043-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6043-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6043-0008
  • 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 6043-0008 available by request