4410-0797 Screening compound: ethyl 2-chloro-5-(5-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate

4410-0797 Screening compound: ethyl 2-chloro-5-(5-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate
4410-0797 Screening compound: ethyl 2-chloro-5-(5-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4410-0797
ethyl 2-chloro-5-(5-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}furan-2-yl)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

4410-0797

Molecular Formula

C17H13ClN2O4S (C17 H13 ClN2 O4 S)

Compound Name

ethyl 2-chloro-5-(5-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

ethyl 2-chloro-5-(5-{[(4E)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl}furan-2-yl)benzoate

SMILES

CCOC(c(cc(cc1)-c2ccc(/C=C(\C(N3)=O)/NC3=S)o2)c1Cl)=O

InChI

InChI=1S/C17H13ClN2O4S/c1-2-23-16(22)11-7-9(3-5-12(11)18)14-6-4-10(24-14)8-13-15(21)20-17(25)19-13/h3-8H,2H2,1H3,(H2,19,20,21,25)

InChI Key

SXKZCEXJHQZPQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01347360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.82

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

4.107

Water Solubility, LogSw

-4.59

Polar Surface Area

64.617

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

References: we are preparing a list of scientific research reports with 4410-0797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4410-0797?
Check Price and Availability of 4410-0797, 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 4410-0797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4410-0797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4410-0797
  • 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 4410-0797 available by request