8012-2245 Screening compound: 4-ethoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzene-1-sulfonamide

8012-2245 Screening compound: 4-ethoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzene-1-sulfonamide
8012-2245 Screening compound: 4-ethoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2245
4-ethoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]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

8012-2245

Molecular Formula

C18H18N2O3S2 (C18 H18 N2 O3 S2)

Compound Name

4-ethoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzene-1-sulfonamide

IUPAC name

4-ethoxy-N-[4-(2-methyl-13-thiazol-4-yl)phenyl]benzene-1-sulfonamide

SMILES

CCOc(cc1)ccc1S(Nc(cc1)ccc1-c1csc(C)n1)(=O)=O

InChI

InChI=1S/C18H18N2O3S2/c1-3-23-16-8-10-17(11-9-16)25(21,22)20-15-6-4-14(5-7-15)18-12-24-13(2)19-18/h4-12,20H,3H2,1-2H3

InChI Key

DHPZGURQFTUWTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02247065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.553

Distribution Coefficient, logD

4.552

Water Solubility, LogSw

-4.24

Polar Surface Area

57.552

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8012-2245 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8012-2245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2245?
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What is the minimum amount of 8012-2245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2245
  • 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 8012-2245 available by request