4545-1052 Screening compound: 2-(4-{[(4E)-1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-ethoxyphenoxy)acetic acid

4545-1052 Screening compound: 2-(4-{[(4E)-1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-ethoxyphenoxy)acetic acid
4545-1052 Screening compound: 2-(4-{[(4E)-1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-ethoxyphenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4545-1052
2-(4-{[(4E)-1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-ethoxyphenoxy)acetic acid

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

4545-1052

Molecular Formula

C21H19BrN2O6 (C21 H19 BrN2 O6)

Compound Name

2-(4-{[(4E)-1-[(4-bromophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-ethoxyphenoxy)acetic acid

IUPAC name

2-(4-{[(4E)-1-[(4-bromophenyl)methyl]-25-dioxoimidazolidin-4-ylidene]methyl}-2-ethoxyphenoxy)acetic acid

SMILES

CCOc(cc(/C=C(\C(N1Cc(cc2)ccc2Br)=O)/NC1=O)cc1)c1OCC(O)=O

InChI

InChI=1S/C21H19BrN2O6/c1-2-29-18-10-14(5-8-17(18)30-12-19(25)26)9-16-20(27)24(21(28)23-16)11-13-3-6-15(22)7-4-13/h3-10H,2,11-12H2,1H3,(H,23,28)(H,25,26)

InChI Key

JROMSRYHBAVBLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03141836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.295

Distribution Coefficient, logD

-0.942

Water Solubility, LogSw

-3.32

Polar Surface Area

83.850

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 4545-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4545-1052?
Check Price and Availability of 4545-1052, 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 4545-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4545-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4545-1052
  • 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 4545-1052 available by request