8008-8296 Screening compound: 1-{2-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-5-nitrobenzenesulfonyl}-2,4-dimethylpiperidine

8008-8296 Screening compound: 1-{2-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-5-nitrobenzenesulfonyl}-2,4-dimethylpiperidine
8008-8296 Screening compound: 1-{2-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-5-nitrobenzenesulfonyl}-2,4-dimethylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8296
1-{2-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-5-nitrobenzenesulfonyl}-2,4-dimethylpiperidine

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

8008-8296

Molecular Formula

C21H24N4O6S (C21 H24 N4 O6 S)

Compound Name

1-{2-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-5-nitrobenzenesulfonyl}-2,4-dimethylpiperidine

IUPAC name

n/a

SMILES

CC(CC1)CC(C)N1S(c(cc(cc1)[N+]([O-])=O)c1N/N=C/c(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C21H24N4O6S/c1-14-7-8-24(15(2)9-14)32(28,29)21-11-17(25(26)27)4-5-18(21)23-22-12-16-3-6-19-20(10-16)31-13-30-19/h3-6,10-12,14-15,23H,7-9,13H2,1-2H3

InChI Key

YMIHJQITXUXBHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01420237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.659

Distribution Coefficient, logD

4.659

Water Solubility, LogSw

-4.44

Polar Surface Area

102.947

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 8008-8296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8296?
Check Price and Availability of 8008-8296, 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 8008-8296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8296
  • 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 8008-8296 available by request