8020-6012 Screening compound: 1,2,3-trimethoxy-5-[2-(4-methoxyphenyl)-1-ethynyl]benzene

8020-6012 Screening compound: 1,2,3-trimethoxy-5-[2-(4-methoxyphenyl)-1-ethynyl]benzene
8020-6012 Screening compound: 1,2,3-trimethoxy-5-[2-(4-methoxyphenyl)-1-ethynyl]benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6012
1,2,3-trimethoxy-5-[2-(4-methoxyphenyl)-1-ethynyl]benzene

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

8020-6012

Molecular Formula

C18H18O4 (C18 H18 O4)

Compound Name

1,2,3-trimethoxy-5-[2-(4-methoxyphenyl)-1-ethynyl]benzene

IUPAC name

123-trimethoxy-5-[2-(4-methoxyphenyl)ethynyl]benzene

SMILES

COc(cc1)ccc1C#Cc(cc1OC)cc(OC)c1OC

InChI

InChI=1S/C18H18O4/c1-19-15-9-7-13(8-10-15)5-6-14-11-16(20-2)18(22-4)17(12-14)21-3/h7-12H,1-4H3

InChI Key

XVYOJBGBNUPSIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD24540283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.331

Distribution Coefficient, logD

4.331

Water Solubility, LogSw

-4.47

Polar Surface Area

30.489

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8020-6012 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8020-6012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-6012?
Check Price and Availability of 8020-6012, 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 8020-6012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6012
  • 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 8020-6012 available by request