8018-2131 Screening compound: 1,2,3-trimethoxy-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methoxy}benzene

8018-2131 Screening compound: 1,2,3-trimethoxy-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methoxy}benzene
8018-2131 Screening compound: 1,2,3-trimethoxy-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methoxy}benzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2131
1,2,3-trimethoxy-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methoxy}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

8018-2131

Molecular Formula

C20H24O6 (C20 H24 O6)

Compound Name

1,2,3-trimethoxy-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methoxy}benzene

IUPAC name

123-trimethoxy-5-{[3-methoxy-4-(prop-2-en-1-yloxy)phenyl]methoxy}benzene

SMILES

COc(cc(COc(cc1OC)cc(OC)c1OC)cc1)c1OCC=C

InChI

InChI=1S/C20H24O6/c1-6-9-25-16-8-7-14(10-17(16)21-2)13-26-15-11-18(22-3)20(24-5)19(12-15)23-4/h6-8,10-12H,1,9,13H2,2-5H3

InChI Key

SCYTUGCRHJHRRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.288

Distribution Coefficient, logD

3.288

Water Solubility, LogSw

-3.33

Polar Surface Area

45.579

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8018-2131 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-2131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2131?
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What is the minimum amount of 8018-2131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2131
  • 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 8018-2131 available by request