5790-2367 Screening compound: 2-(4-bromo-2-{[(4Z)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetic acid

5790-2367 Screening compound: 2-(4-bromo-2-{[(4Z)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetic acid
5790-2367 Screening compound: 2-(4-bromo-2-{[(4Z)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5790-2367
2-(4-bromo-2-{[(4Z)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)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

5790-2367

Molecular Formula

C15H15BrN2O4S (C15 H15 BrN2 O4 S)

Compound Name

2-(4-bromo-2-{[(4Z)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetic acid

IUPAC name

2-(4-bromo-2-{[(4Z)-5-oxo-1-propyl-2-sulfanylideneimidazolidin-4-ylidene]methyl}phenoxy)acetic acid

SMILES

CCCN(C(/C(/N1)=C/c(cc(cc2)Br)c2OCC(O)=O)=O)C1=S

InChI

InChI=1S/C15H15BrN2O4S/c1-2-5-18-14(21)11(17-15(18)23)7-9-6-10(16)3-4-12(9)22-8-13(19)20/h3-4,6-7H,2,5,8H2,1H3,(H,17,23)(H,19,20)

InChI Key

OHVXGFMIVDGXMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04086816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

-0.905

Water Solubility, LogSw

-3.49

Polar Surface Area

63.728

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with 5790-2367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5790-2367?
Check Price and Availability of 5790-2367, 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 5790-2367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5790-2367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5790-2367
  • 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 5790-2367 available by request