4182-0733 Screening compound: prop-2-en-1-yl 2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetate

4182-0733 Screening compound: prop-2-en-1-yl 2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetate
4182-0733 Screening compound: prop-2-en-1-yl 2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4182-0733
prop-2-en-1-yl 2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetate

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

4182-0733

Molecular Formula

C18H18O5 (C18 H18 O5)

Compound Name

prop-2-en-1-yl 2-({6-oxo-6H,7H,8H,9H,10H-cyclohexa[c]chromen-3-yl}oxy)acetate

IUPAC name

prop-2-en-1-yl 2-({6-oxo-6H7H8H9H10H-cyclohexa[c]chromen-3-yl}oxy)acetate

SMILES

C=CCOC(COc(cc1)cc(O2)c1C(CCCC1)=C1C2=O)=O

InChI

InChI=1S/C18H18O5/c1-2-9-21-17(19)11-22-12-7-8-14-13-5-3-4-6-15(13)18(20)23-16(14)10-12/h2,7-8,10H,1,3-6,9,11H2

InChI Key

OJVQLQLCHBLWGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02736555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.122

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-3.39

Polar Surface Area

49.033

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4182-0733 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4182-0733 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4182-0733?
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What is the minimum amount of 4182-0733 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4182-0733
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4182-0733
  • 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 4182-0733 available by request