4772-0511 Screening compound: NICOTINALDEHYDE 3-(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)HYDRAZONE

4772-0511 Screening compound: NICOTINALDEHYDE 3-(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)HYDRAZONE
4772-0511 Screening compound: NICOTINALDEHYDE 3-(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)HYDRAZONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4772-0511
NICOTINALDEHYDE 3-(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)HYDRAZONE

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

4772-0511

Molecular Formula

C13H10N4O2S (C13 H10 N4 O2 S)

Compound Name

NICOTINALDEHYDE 3-(1,1-DIOXO-1H-1,2-BENZISOTHIAZOL-3-YL)HYDRAZONE

IUPAC name

n/a

SMILES

O=S(c1c2cccc1)(N=C2N/N=C/c1cnccc1)=O

InChI

InChI=1S/C13H10N4O2S/c18-20(19)12-6-2-1-5-11(12)13(17-20)16-15-9-10-4-3-7-14-8-10/h1-9H,(H,16,17)

InChI Key

WPOIIBBSIBSBSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03215029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.246

Distribution Coefficient, logD

0.606

Water Solubility, LogSw

-1.84

Polar Surface Area

72.587

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

2.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 4772-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4772-0511?
Check Price and Availability of 4772-0511, 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 4772-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4772-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4772-0511
  • 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 4772-0511 available by request