6470-0022 Screening compound: 1,3-bis(prop-2-en-1-yl) 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

6470-0022 Screening compound: 1,3-bis(prop-2-en-1-yl) 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
6470-0022 Screening compound: 1,3-bis(prop-2-en-1-yl) 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6470-0022
1,3-bis(prop-2-en-1-yl) 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

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

6470-0022

Molecular Formula

C23H28O8 (C23 H28 O8)

Compound Name

1,3-bis(prop-2-en-1-yl) 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

IUPAC name

13-bis(prop-2-en-1-yl) 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-13-dicarboxylate

SMILES

CCOc(cc(C(C(C(C)(C1)O)C(OCC=C)=O)C(C(OCC=C)=O)C1=O)cc1)c1O

InChI

InChI=1S/C23H28O8/c1-5-10-30-21(26)19-16(25)13-23(4,28)20(22(27)31-11-6-2)18(19)14-8-9-15(24)17(12-14)29-7-3/h5-6,8-9,12,18-20,24,28H,1-2,7,10-11,13H2,3-4H3

InChI Key

CVDHRWKLIYGYRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03883643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

2.523

Water Solubility, LogSw

-2.55

Polar Surface Area

94.586

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with 6470-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6470-0022?
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What is the minimum amount of 6470-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6470-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6470-0022
  • 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 6470-0022 available by request