5674-0427 Screening compound: 4-chloro-3-[(4-methylphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-fluorobenzoate

5674-0427 Screening compound: 4-chloro-3-[(4-methylphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-fluorobenzoate
5674-0427 Screening compound: 4-chloro-3-[(4-methylphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5674-0427
4-chloro-3-[(4-methylphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-fluorobenzoate

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

5674-0427

Molecular Formula

C18H13ClFNO4 (C18 H13 ClFNO4)

Compound Name

4-chloro-3-[(4-methylphenyl)amino]-5-oxo-2,5-dihydrofuran-2-yl 2-fluorobenzoate

IUPAC name

4-chloro-3-[(4-methylphenyl)amino]-5-oxo-25-dihydrofuran-2-yl 2-fluorobenzoate

SMILES

Cc(cc1)ccc1NC(C(OC(c(cccc1)c1F)=O)OC1=O)=C1Cl

InChI

InChI=1S/C18H13ClFNO4/c1-10-6-8-11(9-7-10)21-15-14(19)17(23)25-18(15)24-16(22)12-4-2-3-5-13(12)20/h2-9,18,21H,1H3/t18-/m1/s1

InChI Key

BVDGXCWDSIQOMA-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03827864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.248

Distribution Coefficient, logD

4.207

Water Solubility, LogSw

-4.58

Polar Surface Area

52.636

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 5674-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5674-0427?
Check Price and Availability of 5674-0427, 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 5674-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5674-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5674-0427
  • 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 5674-0427 available by request