5371-3637 Screening compound: methyl 4-{[(4Z)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoate

5371-3637 Screening compound: methyl 4-{[(4Z)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoate
5371-3637 Screening compound: methyl 4-{[(4Z)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5371-3637
methyl 4-{[(4Z)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoate

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

5371-3637

Molecular Formula

C13H12N2O3S (C13 H12 N2 O3 S)

Compound Name

methyl 4-{[(4Z)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoate

IUPAC name

methyl 4-{[(4Z)-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}benzoate

SMILES

CN(C(/C(/N1)=C/c(cc2)ccc2C(OC)=O)=O)C1=S

InChI

InChI=1S/C13H12N2O3S/c1-15-11(16)10(14-13(15)19)7-8-3-5-9(6-4-8)12(17)18-2/h3-7H,1-2H3,(H,14,19)

InChI Key

OIJMOFUIMBXZIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03082577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.992

Distribution Coefficient, logD

1.983

Water Solubility, LogSw

-2.47

Polar Surface Area

48.719

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 5371-3637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5371-3637?
Check Price and Availability of 5371-3637, 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 5371-3637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5371-3637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5371-3637
  • 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 5371-3637 available by request