4449-0582 Screening compound: 3-[(2-chloro-4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid

4449-0582 Screening compound: 3-[(2-chloro-4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid
4449-0582 Screening compound: 3-[(2-chloro-4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4449-0582
3-[(2-chloro-4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic 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

4449-0582

Molecular Formula

C19H15ClN2O6 (C19 H15 ClN2 O6)

Compound Name

3-[(2-chloro-4-{[(4E)-2,5-dioxoimidazolidin-4-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid

IUPAC name

3-[(2-chloro-4-{[(4E)-25-dioxoimidazolidin-4-ylidene]methyl}-6-methoxyphenoxy)methyl]benzoic acid

SMILES

COc1cc(/C=C(\C(N2)=O)/NC2=O)cc(Cl)c1OCc1cc(C(O)=O)ccc1

InChI

InChI=1S/C19H15ClN2O6/c1-27-15-8-11(7-14-17(23)22-19(26)21-14)6-13(20)16(15)28-9-10-3-2-4-12(5-10)18(24)25/h2-8H,9H2,1H3,(H,24,25)(H2,21,22,23,26)

InChI Key

ZCJISZKXPALHJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03141703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.79

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.142

Distribution Coefficient, logD

0.245

Water Solubility, LogSw

-3.37

Polar Surface Area

92.751

Acid Dissociation Constant (pKa)

4.50

Base Dissociation Constant (pKb)

-5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 4449-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4449-0582?
Check Price and Availability of 4449-0582, 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 4449-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4449-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4449-0582
  • 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 4449-0582 available by request