4361-0650 Screening compound: ethyl 2-(2-bromo-4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)acetate

4361-0650 Screening compound: ethyl 2-(2-bromo-4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)acetate
4361-0650 Screening compound: ethyl 2-(2-bromo-4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4361-0650
ethyl 2-(2-bromo-4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)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

4361-0650

Molecular Formula

C14H13BrN2O5 (C14 H13 BrN2 O5)

Compound Name

ethyl 2-(2-bromo-4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}phenoxy)acetate

IUPAC name

ethyl 2-(2-bromo-4-{[(4E)-25-dioxoimidazolidin-4-ylidene]methyl}phenoxy)acetate

SMILES

CCOC(COc(ccc(/C=C(\C(N1)=O)/NC1=O)c1)c1Br)=O

InChI

InChI=1S/C14H13BrN2O5/c1-2-21-12(18)7-22-11-4-3-8(5-9(11)15)6-10-13(19)17-14(20)16-10/h3-6H,2,7H2,1H3,(H2,16,17,19,20)

InChI Key

ZCOMZTNQSFOYFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03141771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.17

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.275

Distribution Coefficient, logD

1.261

Water Solubility, LogSw

-2.23

Polar Surface Area

77.056

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

-5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with 4361-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4361-0650?
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What is the minimum amount of 4361-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4361-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4361-0650
  • 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 4361-0650 available by request