6470-0013 Screening compound: 1,3-bis(prop-2-en-1-yl) 4-hydroxy-4-methyl-6-oxo-2-[4-(propan-2-yl)phenyl]cyclohexane-1,3-dicarboxylate

6470-0013 Screening compound: 1,3-bis(prop-2-en-1-yl) 4-hydroxy-4-methyl-6-oxo-2-[4-(propan-2-yl)phenyl]cyclohexane-1,3-dicarboxylate
6470-0013 Screening compound: 1,3-bis(prop-2-en-1-yl) 4-hydroxy-4-methyl-6-oxo-2-[4-(propan-2-yl)phenyl]cyclohexane-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6470-0013
1,3-bis(prop-2-en-1-yl) 4-hydroxy-4-methyl-6-oxo-2-[4-(propan-2-yl)phenyl]cyclohexane-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

6470-0013

Molecular Formula

C24H30O6 (C24 H30 O6)

Compound Name

1,3-bis(prop-2-en-1-yl) 4-hydroxy-4-methyl-6-oxo-2-[4-(propan-2-yl)phenyl]cyclohexane-1,3-dicarboxylate

IUPAC name

13-bis(prop-2-en-1-yl) 4-hydroxy-4-methyl-6-oxo-2-[4-(propan-2-yl)phenyl]cyclohexane-13-dicarboxylate

SMILES

CC(C)c1ccc(C(C(C(C)(C2)O)C(OCC=C)=O)C(C(OCC=C)=O)C2=O)cc1

InChI

InChI=1S/C24H30O6/c1-6-12-29-22(26)20-18(25)14-24(5,28)21(23(27)30-13-7-2)19(20)17-10-8-16(9-11-17)15(3)4/h6-11,15,19-21,28H,1-2,12-14H2,3-5H3

InChI Key

ARGWFZYTCMXASJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03883634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.166

Distribution Coefficient, logD

4.098

Water Solubility, LogSw

-4.33

Polar Surface Area

70.828

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

45.80

6470-0013 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 6470-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6470-0013?
Check Price and Availability of 6470-0013, 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 6470-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6470-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6470-0013
  • 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 6470-0013 available by request