3033-3951 Screening compound: N~1~-(tert-butyl)-3-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(2-hydroxyphenyl)methylidene]hydrazino}propanamide

3033-3951 Screening compound: N~1~-(tert-butyl)-3-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(2-hydroxyphenyl)methylidene]hydrazino}propanamide
3033-3951 Screening compound: N~1~-(tert-butyl)-3-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(2-hydroxyphenyl)methylidene]hydrazino}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3033-3951
N~1~-(tert-butyl)-3-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(2-hydroxyphenyl)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

3033-3951

Molecular Formula

C21H24N4O4S (C21 H24 N4 O4 S)

Compound Name

N~1~-(tert-butyl)-3-{1-(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-[(E)-1-(2-hydroxyphenyl)methylidene]hydrazino}propanamide

IUPAC name

N-tert-butyl-3-[(2E)-1-(11-dioxo-1lambda62-benzothiazol-3-yl)-2-[(2-hydroxyphenyl)methylidene]hydrazin-1-yl]propanamide

SMILES

CC(C)(C)NC(CCN(C(c1c2cccc1)=NS2(=O)=O)/N=C/c(cccc1)c1O)=O

InChI

InChI=1S/C21H24N4O4S/c1-21(2,3)23-19(27)12-13-25(22-14-15-8-4-6-10-17(15)26)20-16-9-5-7-11-18(16)30(28,29)24-20/h4-11,14,26H,12-13H2,1-3H3,(H,23,27)

InChI Key

ZAOGMDQYCJFTLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05150204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

2.548

Water Solubility, LogSw

-2.99

Polar Surface Area

91.017

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3033-3951 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3033-3951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3033-3951?
Check Price and Availability of 3033-3951, 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 3033-3951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3033-3951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3033-3951
  • 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 3033-3951 available by request