2237-1800 Screening compound: ethyl 2-(4-{[(4Z)-1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate

2237-1800 Screening compound: ethyl 2-(4-{[(4Z)-1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate
2237-1800 Screening compound: ethyl 2-(4-{[(4Z)-1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2237-1800
ethyl 2-(4-{[(4Z)-1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate

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

2237-1800

Molecular Formula

C21H19IN2O6 (C21 H19 IN2 O6)

Compound Name

ethyl 2-(4-{[(4Z)-1-(4-iodophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate

IUPAC name

ethyl 2-(4-{[(4Z)-1-(4-iodophenyl)-35-dioxopyrazolidin-4-ylidene]methyl}-2-methoxyphenoxy)acetate

SMILES

CCOC(COc(ccc(/C=C(/C(NN1c(cc2)ccc2I)=O)\C1=O)c1)c1OC)=O

InChI

InChI=1S/C21H19IN2O6/c1-3-29-19(25)12-30-17-9-4-13(11-18(17)28-2)10-16-20(26)23-24(21(16)27)15-7-5-14(22)6-8-15/h4-11H,3,12H2,1-2H3,(H,23,26)

InChI Key

LLKXQHBUPFFKEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.112

Distribution Coefficient, logD

3.033

Water Solubility, LogSw

-3.32

Polar Surface Area

78.135

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

2237-1800 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2237-1800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2237-1800?
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What is the minimum amount of 2237-1800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2237-1800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2237-1800
  • 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 2237-1800 available by request