6470-0017 Screening compound: 1,3-bis(prop-2-en-1-yl) 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

6470-0017 Screening compound: 1,3-bis(prop-2-en-1-yl) 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
6470-0017 Screening compound: 1,3-bis(prop-2-en-1-yl) 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6470-0017
1,3-bis(prop-2-en-1-yl) 2-[4-(dimethylamino)phenyl]-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

6470-0017

Molecular Formula

C23H29NO6 (C23 H29 NO6)

Compound Name

1,3-bis(prop-2-en-1-yl) 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate

IUPAC name

13-bis(prop-2-en-1-yl) 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-13-dicarboxylate

SMILES

CC(CC(C(C1c(cc2)ccc2N(C)C)C(OCC=C)=O)=O)(C1C(OCC=C)=O)O

InChI

InChI=1S/C23H29NO6/c1-6-12-29-21(26)19-17(25)14-23(3,28)20(22(27)30-13-7-2)18(19)15-8-10-16(11-9-15)24(4)5/h6-11,18-20,28H,1-2,12-14H2,3-5H3

InChI Key

XMTUKCOKLQMUHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03883638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

2.849

Water Solubility, LogSw

-3.05

Polar Surface Area

73.632

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

8.79

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

43.50

6470-0017 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 6470-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6470-0017?
Check Price and Availability of 6470-0017, 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 6470-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6470-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6470-0017
  • 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 6470-0017 available by request