3330-4572 Screening compound: METHYL 2-({3-METHYL-6-OXO-6H,7H,8H,9H,10H-CYCLOHEXA[C]CHROMEN-1-YL}OXY)ACETATE

3330-4572 Screening compound: METHYL 2-({3-METHYL-6-OXO-6H,7H,8H,9H,10H-CYCLOHEXA[C]CHROMEN-1-YL}OXY)ACETATE
3330-4572 Screening compound: METHYL 2-({3-METHYL-6-OXO-6H,7H,8H,9H,10H-CYCLOHEXA[C]CHROMEN-1-YL}OXY)ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-4572
METHYL 2-({3-METHYL-6-OXO-6H,7H,8H,9H,10H-CYCLOHEXA[C]CHROMEN-1-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

3330-4572

Molecular Formula

C17H18O5 (C17 H18 O5)

Compound Name

METHYL 2-({3-METHYL-6-OXO-6H,7H,8H,9H,10H-CYCLOHEXA[C]CHROMEN-1-YL}OXY)ACETATE

IUPAC name

n/a

SMILES

Cc1cc(OC(C2=C3CCCC2)=O)c3c(OCC(OC)=O)c1

InChI

InChI=1S/C17H18O5/c1-10-7-13(21-9-15(18)20-2)16-11-5-3-4-6-12(11)17(19)22-14(16)8-10/h7-8H,3-6,9H2,1-2H3

InChI Key

XWECJLSKKFKBAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.209

Distribution Coefficient, logD

3.209

Water Solubility, LogSw

-3.36

Polar Surface Area

49.245

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3330-4572 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3330-4572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-4572?
Check Price and Availability of 3330-4572, 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 3330-4572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-4572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-4572
  • 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 3330-4572 available by request