5251-2333 Screening compound: N~1~-cyclohexyl-3-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(5-methyl-2-furyl)methylidene]hydrazino}propanamide

5251-2333 Screening compound: N~1~-cyclohexyl-3-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(5-methyl-2-furyl)methylidene]hydrazino}propanamide
5251-2333 Screening compound: N~1~-cyclohexyl-3-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(5-methyl-2-furyl)methylidene]hydrazino}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5251-2333
N~1~-cyclohexyl-3-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(5-methyl-2-furyl)methylidene]hydrazino}propanamide

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

5251-2333

Molecular Formula

C22H26N4O4S (C22 H26 N4 O4 S)

Compound Name

N~1~-cyclohexyl-3-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(5-methyl-2-furyl)methylidene]hydrazino}propanamide

IUPAC name

N-cyclohexyl-3-[(2E)-1-(11-dioxo-1lambda62-benzothiazol-3-yl)-2-[(5-methylfuran-2-yl)methylidene]hydrazin-1-yl]propanamide

SMILES

Cc1ccc(/C=N/N(CCC(NC2CCCCC2)=O)C(c2c3cccc2)=NS3(=O)=O)o1

InChI

InChI=1S/C22H26N4O4S/c1-16-11-12-18(30-16)15-23-26(14-13-21(27)24-17-7-3-2-4-8-17)22-19-9-5-6-10-20(19)31(28,29)25-22/h5-6,9-12,15,17H,2-4,7-8,13-14H2,1H3,(H,24,27)

InChI Key

BXTHPUQMRAOGOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04084637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.014

Distribution Coefficient, logD

3.014

Water Solubility, LogSw

-3.67

Polar Surface Area

82.361

Acid Dissociation Constant (pKa)

15.41

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 5251-2333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5251-2333?
Check Price and Availability of 5251-2333, 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 5251-2333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5251-2333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5251-2333
  • 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 5251-2333 available by request