3382-0697 Screening compound: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide

3382-0697 Screening compound: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
3382-0697 Screening compound: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3382-0697
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide

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

3382-0697

Molecular Formula

C17H13N3O4S (C17 H13 N3 O4 S)

Compound Name

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide

IUPAC name

N-[4-(4-methoxyphenyl)-13-thiazol-2-yl]-4-nitrobenzamide

SMILES

COc(cc1)ccc1-c1csc(NC(c(cc2)ccc2[N+]([O-])=O)=O)n1

InChI

InChI=1S/C17H13N3O4S/c1-24-14-8-4-11(5-9-14)15-10-25-17(18-15)19-16(21)12-2-6-13(7-3-12)20(22)23/h2-10H,1H3,(H,18,19,21)

InChI Key

NUXMNYUGKHUUGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00987908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.546

Distribution Coefficient, logD

4.545

Water Solubility, LogSw

-4.38

Polar Surface Area

74.030

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

3382-0697 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SmartTM Library (51161 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Epigenetics Focused Set (26518 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3382-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3382-0697?
Check Price and Availability of 3382-0697, 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 3382-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3382-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3382-0697
  • 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 3382-0697 available by request