8009-7172 Screening compound: N,N-diethyl-4-[(2Z)-3-methyl-2-[(naphthalen-1-yl)imino]-2,3-dihydro-1,3-thiazol-4-yl]benzene-1-sulfonamide

8009-7172 Screening compound: N,N-diethyl-4-[(2Z)-3-methyl-2-[(naphthalen-1-yl)imino]-2,3-dihydro-1,3-thiazol-4-yl]benzene-1-sulfonamide
8009-7172 Screening compound: N,N-diethyl-4-[(2Z)-3-methyl-2-[(naphthalen-1-yl)imino]-2,3-dihydro-1,3-thiazol-4-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7172
N,N-diethyl-4-[(2Z)-3-methyl-2-[(naphthalen-1-yl)imino]-2,3-dihydro-1,3-thiazol-4-yl]benzene-1-sulfonamide

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

8009-7172

Molecular Formula

C24H25N3O2S2 (C24 H25 N3 O2 S2)

Compound Name

N,N-diethyl-4-[(2Z)-3-methyl-2-[(naphthalen-1-yl)imino]-2,3-dihydro-1,3-thiazol-4-yl]benzene-1-sulfonamide

IUPAC name

NN-diethyl-4-[(2Z)-3-methyl-2-[(naphthalen-1-yl)imino]-23-dihydro-13-thiazol-4-yl]benzene-1-sulfonamide

SMILES

CCN(CC)S(c(cc1)ccc1C(N1C)=CS/C1=N\c1cccc2ccccc12)(=O)=O

InChI

InChI=1S/C24H25N3O2S2/c1-4-27(5-2)31(28,29)20-15-13-19(14-16-20)23-17-30-24(26(23)3)25-22-12-8-10-18-9-6-7-11-21(18)22/h6-17H,4-5H2,1-3H3

InChI Key

XSSPWTJRMRNTFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01819861

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

451.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.397

Distribution Coefficient, logD

5.397

Water Solubility, LogSw

-6.41

Polar Surface Area

41.467

Acid Dissociation Constant (pKa)

28.41

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.83

8009-7172 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8009-7172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7172?
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What is the minimum amount of 8009-7172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7172
  • 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 8009-7172 available by request