2237-1608 Screening compound: 4-{[(4Z)-1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate

2237-1608 Screening compound: 4-{[(4Z)-1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate
2237-1608 Screening compound: 4-{[(4Z)-1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2237-1608
4-{[(4Z)-1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate

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

2237-1608

Molecular Formula

C21H19ClN2O5 (C21 H19 ClN2 O5)

Compound Name

4-{[(4Z)-1-(3-chloro-4-methylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate

IUPAC name

4-{[(4Z)-1-(3-chloro-4-methylphenyl)-35-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenyl propanoate

SMILES

CCC(Oc(ccc(/C=C(/C(NN1c2cc(Cl)c(C)cc2)=O)\C1=O)c1)c1OC)=O

InChI

InChI=1S/C21H19ClN2O5/c1-4-19(25)29-17-8-6-13(10-18(17)28-3)9-15-20(26)23-24(21(15)27)14-7-5-12(2)16(22)11-14/h5-11H,4H2,1-3H3,(H,23,26)

InChI Key

GBXGECKOBKLYFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.797

Distribution Coefficient, logD

3.391

Water Solubility, LogSw

-4.47

Polar Surface Area

70.531

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

-8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

2237-1608 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2237-1608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2237-1608?
Check Price and Availability of 2237-1608, 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 2237-1608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2237-1608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2237-1608
  • 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 2237-1608 available by request