5976-1665 Screening compound: butan-2-yl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

5976-1665 Screening compound: butan-2-yl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate
5976-1665 Screening compound: butan-2-yl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5976-1665
butan-2-yl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-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

5976-1665

Molecular Formula

C21H19ClO6 (C21 H19 ClO6)

Compound Name

butan-2-yl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

IUPAC name

butan-2-yl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}acetate

SMILES

CCC(C)OC(COc(cc1)cc(OC=C2Oc(cccc3)c3Cl)c1C2=O)=O

InChI

InChI=1S/C21H19ClO6/c1-3-13(2)27-20(23)12-25-14-8-9-15-18(10-14)26-11-19(21(15)24)28-17-7-5-4-6-16(17)22/h4-11,13H,3,12H2,1-2H3/t13-/m0/s1

InChI Key

UDWDISJOOGMWRO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04978464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.347

Distribution Coefficient, logD

4.347

Water Solubility, LogSw

-4.54

Polar Surface Area

54.877

Acid Dissociation Constant (pKa)

25.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

5976-1665 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with 5976-1665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5976-1665?
Check Price and Availability of 5976-1665, 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 5976-1665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5976-1665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5976-1665
  • 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 5976-1665 available by request