3615-0234 Screening compound: ethyl 2-(2-bromo-4-{[(4Z)-1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-ethoxyphenoxy)acetate

3615-0234 Screening compound: ethyl 2-(2-bromo-4-{[(4Z)-1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-ethoxyphenoxy)acetate
3615-0234 Screening compound: ethyl 2-(2-bromo-4-{[(4Z)-1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-ethoxyphenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3615-0234
ethyl 2-(2-bromo-4-{[(4Z)-1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-ethoxyphenoxy)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

3615-0234

Molecular Formula

C24H25BrN2O6 (C24 H25 BrN2 O6)

Compound Name

ethyl 2-(2-bromo-4-{[(4Z)-1-(3,4-dimethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}-6-ethoxyphenoxy)acetate

IUPAC name

ethyl 2-(2-bromo-4-{[(4Z)-1-(34-dimethylphenyl)-35-dioxopyrazolidin-4-ylidene]methyl}-6-ethoxyphenoxy)acetate

SMILES

CCOC(COc(c(OCC)cc(/C=C(/C(NN1c2cc(C)c(C)cc2)=O)\C1=O)c1)c1Br)=O

InChI

InChI=1S/C24H25BrN2O6/c1-5-31-20-12-16(11-19(25)22(20)33-13-21(28)32-6-2)10-18-23(29)26-27(24(18)30)17-8-7-14(3)15(4)9-17/h7-12H,5-6,13H2,1-4H3,(H,26,29)

InChI Key

AKWXTKDWDBTREK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.300

Distribution Coefficient, logD

4.075

Water Solubility, LogSw

-4.28

Polar Surface Area

77.801

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with 3615-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3615-0234?
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What is the minimum amount of 3615-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3615-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3615-0234
  • 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 3615-0234 available by request