3330-4125 Screening compound: 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one

3330-4125 Screening compound: 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one
3330-4125 Screening compound: 6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3330-4125
6-chloro-7-ethoxy-4-methyl-2H-chromen-2-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

3330-4125

Molecular Formula

C12H11ClO3 (C12 H11 ClO3)

Compound Name

6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one

IUPAC name

6-chloro-7-ethoxy-4-methyl-2H-chromen-2-one

SMILES

CCOc(cc(c(C(C)=C1)c2)OC1=O)c2Cl

InChI

InChI=1S/C12H11ClO3/c1-3-15-11-6-10-8(5-9(11)13)7(2)4-12(14)16-10/h4-6H,3H2,1-2H3

InChI Key

AHSGXZQKFAZMNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01540122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.275

Distribution Coefficient, logD

3.275

Water Solubility, LogSw

-3.53

Polar Surface Area

27.856

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3330-4125 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3330-4125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3330-4125?
Check Price and Availability of 3330-4125, 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 3330-4125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3330-4125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3330-4125
  • 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 3330-4125 available by request