3601-0678 Screening compound: (4E)-1-(3-chlorophenyl)-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione

3601-0678 Screening compound: (4E)-1-(3-chlorophenyl)-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione
3601-0678 Screening compound: (4E)-1-(3-chlorophenyl)-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3601-0678
(4E)-1-(3-chlorophenyl)-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione

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

3601-0678

Molecular Formula

C20H12ClN3O5 (C20 H12 ClN3 O5)

Compound Name

(4E)-1-(3-chlorophenyl)-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-3,5-dione

IUPAC name

(4E)-1-(3-chlorophenyl)-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}pyrazolidine-35-dione

SMILES

[O-][N+](c(cccc1)c1-c1ccc(/C=C(\C(NN2c3cccc(Cl)c3)=O)/C2=O)o1)=O

InChI

InChI=1S/C20H12ClN3O5/c21-12-4-3-5-13(10-12)23-20(26)16(19(25)22-23)11-14-8-9-18(29-14)15-6-1-2-7-17(15)24(27)28/h1-11H,(H,22,25)

InChI Key

HNTCXVBLNRGWHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01873631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.79

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.815

Distribution Coefficient, logD

3.443

Water Solubility, LogSw

-4.34

Polar Surface Area

83.410

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3601-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3601-0678?
Check Price and Availability of 3601-0678, 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 3601-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3601-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3601-0678
  • 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 3601-0678 available by request