4553-0799 Screening compound: N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-5-nitrofuran-2-carboxamide

4553-0799 Screening compound: N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-5-nitrofuran-2-carboxamide
4553-0799 Screening compound: N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-5-nitrofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4553-0799
N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-5-nitrofuran-2-carboxamide

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

4553-0799

Molecular Formula

C14H11N3O6S2 (C14 H11 N3 O6 S2)

Compound Name

N-[(2Z)-6-methanesulfonyl-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]-5-nitrofuran-2-carboxamide

IUPAC name

N-[(2Z)-6-methanesulfonyl-3-methyl-23-dihydro-13-benzothiazol-2-ylidene]-5-nitrofuran-2-carboxamide

SMILES

CN(c(ccc(S(C)(=O)=O)c1)c1S1)/C1=N/C(c1ccc([N+]([O-])=O)o1)=O

InChI

InChI=1S/C14H11N3O6S2/c1-16-9-4-3-8(25(2,21)22)7-11(9)24-14(16)15-13(18)10-5-6-12(23-10)17(19)20/h3-7H,1-2H3

InChI Key

PLUGGWGTJYSTKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04423910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.39

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.251

Distribution Coefficient, logD

1.251

Water Solubility, LogSw

-2.33

Polar Surface Area

97.705

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 4553-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4553-0799?
Check Price and Availability of 4553-0799, 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 4553-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4553-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4553-0799
  • 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 4553-0799 available by request