3338-2042 Screening compound: 2-chloro-3-[(3-methylphenyl)methoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

3338-2042 Screening compound: 2-chloro-3-[(3-methylphenyl)methoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one
3338-2042 Screening compound: 2-chloro-3-[(3-methylphenyl)methoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-2042
2-chloro-3-[(3-methylphenyl)methoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

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

3338-2042

Molecular Formula

C21H19ClO3 (C21 H19 ClO3)

Compound Name

2-chloro-3-[(3-methylphenyl)methoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

IUPAC name

2-chloro-3-[(3-methylphenyl)methoxy]-6H7H8H9H10H-cyclohexa[c]chromen-6-one

SMILES

Cc1cccc(COc(cc(c(C2=C3CCCC2)c2)OC3=O)c2Cl)c1

InChI

InChI=1S/C21H19ClO3/c1-13-5-4-6-14(9-13)12-24-20-11-19-17(10-18(20)22)15-7-2-3-8-16(15)21(23)25-19/h4-6,9-11H,2-3,7-8,12H2,1H3

InChI Key

RNUPBGVKDCKEHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.373

Distribution Coefficient, logD

6.373

Water Solubility, LogSw

-6.16

Polar Surface Area

28.395

Acid Dissociation Constant (pKa)

26.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 3338-2042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-2042?
Check Price and Availability of 3338-2042, 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 3338-2042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-2042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-2042
  • 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 3338-2042 available by request