2188-3785 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,8-dimethyl-4-oxo-4H-chromen-7-yl acetate

2188-3785 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,8-dimethyl-4-oxo-4H-chromen-7-yl acetate
2188-3785 Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,8-dimethyl-4-oxo-4H-chromen-7-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-3785
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,8-dimethyl-4-oxo-4H-chromen-7-yl 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

2188-3785

Molecular Formula

C21H18O6 (C21 H18 O6)

Compound Name

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,8-dimethyl-4-oxo-4H-chromen-7-yl acetate

IUPAC name

3-(23-dihydro-14-benzodioxin-6-yl)-28-dimethyl-4-oxo-4H-chromen-7-yl acetate

SMILES

CC(Oc(cc1)c(C)c(OC(C)=C2c(cc3)cc4c3OCCO4)c1C2=O)=O

InChI

InChI=1S/C21H18O6/c1-11-16(27-13(3)22)7-5-15-20(23)19(12(2)26-21(11)15)14-4-6-17-18(10-14)25-9-8-24-17/h4-7,10H,8-9H2,1-3H3

InChI Key

SSWXJSLHQHAIFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00525169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.670

Distribution Coefficient, logD

2.670

Water Solubility, LogSw

-3.10

Polar Surface Area

56.671

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

2188-3785 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2188-3785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-3785?
Check Price and Availability of 2188-3785, 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 2188-3785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-3785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-3785
  • 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 2188-3785 available by request