3245-0123 Screening compound: 4-chloro-3-[(3-methoxyphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl benzoate

3245-0123 Screening compound: 4-chloro-3-[(3-methoxyphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl benzoate
3245-0123 Screening compound: 4-chloro-3-[(3-methoxyphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3245-0123
4-chloro-3-[(3-methoxyphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl benzoate

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

3245-0123

Molecular Formula

C18H14ClNO5 (C18 H14 ClNO5)

Compound Name

4-chloro-3-[(3-methoxyphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl benzoate

IUPAC name

4-chloro-3-[(3-methoxyphenyl)amino]-5-oxo-25-dihydrofuran-2-yl benzoate

SMILES

COc1cccc(NC(C(OC(c2ccccc2)=O)OC2=O)=C2Cl)c1

InChI

InChI=1S/C18H14ClNO5/c1-23-13-9-5-8-12(10-13)20-15-14(19)17(22)25-18(15)24-16(21)11-6-3-2-4-7-11/h2-10,18,20H,1H3/t18-/m1/s1

InChI Key

QKUJCFJHYQGKGM-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02070759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.915

Distribution Coefficient, logD

3.681

Water Solubility, LogSw

-4.25

Polar Surface Area

60.180

Acid Dissociation Constant (pKa)

7.55

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 3245-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3245-0123?
Check Price and Availability of 3245-0123, 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 3245-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3245-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3245-0123
  • 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 3245-0123 available by request