4593-1537 Screening compound: propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate

4593-1537 Screening compound: propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate
4593-1537 Screening compound: propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-1537
propyl 2-{[3-(2-chlorophenoxy)-4-oxo-4H-chromen-7-yl]oxy}butanoate

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

4593-1537

Molecular Formula

C22H21ClO6 (C22 H21 ClO6)

Compound Name

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

IUPAC name

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

SMILES

CCCOC(C(CC)Oc(cc1)cc(OC=C2Oc(cccc3)c3Cl)c1C2=O)=O

InChI

InChI=1S/C22H21ClO6/c1-3-11-26-22(25)17(4-2)28-14-9-10-15-19(12-14)27-13-20(21(15)24)29-18-8-6-5-7-16(18)23/h5-10,12-13,17H,3-4,11H2,1-2H3/t17-/m0/s1

InChI Key

QZXSWPWHWMGATR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD02957581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.86

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.205

Distribution Coefficient, logD

5.205

Water Solubility, LogSw

-5.58

Polar Surface Area

55.377

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

4593-1537 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 4593-1537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-1537?
Check Price and Availability of 4593-1537, 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 4593-1537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-1537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-1537
  • 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 4593-1537 available by request