4230-0001 Screening compound: 4-chloro-5-oxo-3-(phenylamino)-2,5-dihydrofuran-2-yl 4-nitrobenzoate

4230-0001 Screening compound: 4-chloro-5-oxo-3-(phenylamino)-2,5-dihydrofuran-2-yl 4-nitrobenzoate
4230-0001 Screening compound: 4-chloro-5-oxo-3-(phenylamino)-2,5-dihydrofuran-2-yl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4230-0001
4-chloro-5-oxo-3-(phenylamino)-2,5-dihydrofuran-2-yl 4-nitrobenzoate

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

4230-0001

Molecular Formula

C17H11ClN2O6 (C17 H11 ClN2 O6)

Compound Name

4-chloro-5-oxo-3-(phenylamino)-2,5-dihydrofuran-2-yl 4-nitrobenzoate

IUPAC name

4-chloro-5-oxo-3-(phenylamino)-25-dihydrofuran-2-yl 4-nitrobenzoate

SMILES

[O-][N+](c(cc1)ccc1C(OC(C(Nc1ccccc1)=C1Cl)OC1=O)=O)=O

InChI

InChI=1S/C17H11ClN2O6/c18-13-14(19-11-4-2-1-3-5-11)17(26-16(13)22)25-15(21)10-6-8-12(9-7-10)20(23)24/h1-9,17,19H/t17-/m1/s1

InChI Key

HUWFBAZUDSQEDH-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD02181836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.74

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.687

Distribution Coefficient, logD

3.656

Water Solubility, LogSw

-4.25

Polar Surface Area

86.018

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 4230-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4230-0001?
Check Price and Availability of 4230-0001, 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 4230-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4230-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4230-0001
  • 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 4230-0001 available by request