8009-6697 Screening compound: N-[(1E,3E)-5-[(5E)-3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene]penta-1,3-dien-1-yl]-N-phenylacetamide

8009-6697 Screening compound: N-[(1E,3E)-5-[(5E)-3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene]penta-1,3-dien-1-yl]-N-phenylacetamide
8009-6697 Screening compound: N-[(1E,3E)-5-[(5E)-3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene]penta-1,3-dien-1-yl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6697
N-[(1E,3E)-5-[(5E)-3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene]penta-1,3-dien-1-yl]-N-phenylacetamide

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

8009-6697

Molecular Formula

C17H16N2O3S (C17 H16 N2 O3 S)

Compound Name

N-[(1E,3E)-5-[(5E)-3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene]penta-1,3-dien-1-yl]-N-phenylacetamide

IUPAC name

N-[(1E3E)-5-[(5E)-3-methyl-4-oxo-2-sulfanylidene-13-oxazolidin-5-ylidene]penta-13-dien-1-yl]-N-phenylacetamide

SMILES

CC(N(/C=C/C=C/C=C(\C(N1C)=O)/OC1=S)c1ccccc1)=O

InChI

InChI=1S/C17H16N2O3S/c1-13(20)19(14-9-5-3-6-10-14)12-8-4-7-11-15-16(21)18(2)17(23)22-15/h3-12H,1-2H3

InChI Key

GFDCIQXMEPYGIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01655421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.990

Distribution Coefficient, logD

1.990

Water Solubility, LogSw

-2.32

Polar Surface Area

40.468

Acid Dissociation Constant (pKa)

21.66

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8009-6697 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-6697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6697?
Check Price and Availability of 8009-6697, 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 8009-6697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6697
  • 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 8009-6697 available by request