4986-1272 Screening compound: methyl 4-{[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}-5-methylfuran-2-carboxylate

4986-1272 Screening compound: methyl 4-{[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}-5-methylfuran-2-carboxylate
4986-1272 Screening compound: methyl 4-{[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}-5-methylfuran-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4986-1272
methyl 4-{[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}-5-methylfuran-2-carboxylate

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

4986-1272

Molecular Formula

C18H15ClO6 (C18 H15 ClO6)

Compound Name

methyl 4-{[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}-5-methylfuran-2-carboxylate

IUPAC name

methyl 4-{[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]methyl}-5-methylfuran-2-carboxylate

SMILES

Cc1c(COc(cc(c(C(C)=C2)c3)OC2=O)c3Cl)cc(C(OC)=O)o1

InChI

InChI=1S/C18H15ClO6/c1-9-4-17(20)25-14-7-15(13(19)6-12(9)14)23-8-11-5-16(18(21)22-3)24-10(11)2/h4-7H,8H2,1-3H3

InChI Key

JEOLTMMYKTVEAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02162290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.774

Distribution Coefficient, logD

3.774

Water Solubility, LogSw

-4.14

Polar Surface Area

57.459

Acid Dissociation Constant (pKa)

30.04

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4986-1272 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4986-1272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4986-1272?
Check Price and Availability of 4986-1272, 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 4986-1272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4986-1272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4986-1272
  • 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 4986-1272 available by request