N014-0004 Screening compound: 2,3-dihydroxypropyl 3-(1,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoate

N014-0004 Screening compound: 2,3-dihydroxypropyl 3-(1,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoate
N014-0004 Screening compound: 2,3-dihydroxypropyl 3-(1,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound N014-0004
2,3-dihydroxypropyl 3-(1,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoate

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

N014-0004

Molecular Formula

C27H34O7 (C27 H34 O7)

Compound Name

2,3-dihydroxypropyl 3-(1,3-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoate

IUPAC name

23-dihydroxypropyl 3-(13-dimethyl-2-{[(2-oxo-2H-chromen-7-yl)oxy]methyl}-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl)propanoate

SMILES

CC(CCC(OCC(CO)O)=O)(C(COc(cc1)cc(O2)c1C=CC2=O)C(C)=CC1)C1C(C)=C

InChI

InChI=1S/C27H34O7/c1-17(2)22-9-5-18(3)23(27(22,4)12-11-25(30)33-15-20(29)14-28)16-32-21-8-6-19-7-10-26(31)34-24(19)13-21/h5-8,10,13,20,22-23,28-29H,1,9,11-12,14-16H2,2-4H3

InChI Key

VUXHHWJZHCZHET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.617

Distribution Coefficient, logD

4.617

Water Solubility, LogSw

-4.52

Polar Surface Area

82.334

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

48.10

N014-0004 in Drug Discovery

Included in Screening Libraries

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

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with N014-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N014-0004?
Check Price and Availability of N014-0004, 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 N014-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N014-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N014-0004
  • 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 N014-0004 available by request