2188-3271 Screening compound: 2-{[3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-6-ETHYL-2-METHYL-4-OXO-4H-CHROMEN-7-YL]OXY}ACETIC ACID

2188-3271 Screening compound: 2-{[3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-6-ETHYL-2-METHYL-4-OXO-4H-CHROMEN-7-YL]OXY}ACETIC ACID
2188-3271 Screening compound: 2-{[3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-6-ETHYL-2-METHYL-4-OXO-4H-CHROMEN-7-YL]OXY}ACETIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-3271
2-{[3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-6-ETHYL-2-METHYL-4-OXO-4H-CHROMEN-7-YL]OXY}ACETIC ACID

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

2188-3271

Molecular Formula

C22H20O7 (C22 H20 O7)

Compound Name

2-{[3-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-6-ETHYL-2-METHYL-4-OXO-4H-CHROMEN-7-YL]OXY}ACETIC ACID

IUPAC name

n/a

SMILES

CCc(c(OCC(O)=O)c1)cc2c1OC(C)=C(c(cc1)cc3c1OCCO3)C2=O

InChI

InChI=1S/C22H20O7/c1-3-13-8-15-18(10-17(13)28-11-20(23)24)29-12(2)21(22(15)25)14-4-5-16-19(9-14)27-7-6-26-16/h4-5,8-10H,3,6-7,11H2,1-2H3,(H,23,24)

InChI Key

CKDRSRIVEGWMFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00525195

Chemical and Physical Properties

Saltdata

(HOCH2CH2)2NH

Molecular Weight

396.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.042

Distribution Coefficient, logD

-1.195

Water Solubility, LogSw

-3.17

Polar Surface Area

72.118

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 2188-3271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-3271?
Check Price and Availability of 2188-3271, 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 2188-3271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-3271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-3271
  • 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 2188-3271 available by request