C852-0246 Screening compound: N-(2-ethoxyphenyl)-2-(N-methyl2-methyl-1,3-benzothiazole-6-sulfonamido)acetamide

C852-0246 Screening compound: N-(2-ethoxyphenyl)-2-(N-methyl2-methyl-1,3-benzothiazole-6-sulfonamido)acetamide
C852-0246 Screening compound: N-(2-ethoxyphenyl)-2-(N-methyl2-methyl-1,3-benzothiazole-6-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C852-0246
N-(2-ethoxyphenyl)-2-(N-methyl2-methyl-1,3-benzothiazole-6-sulfonamido)acetamide

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

C852-0246

Molecular Formula

C19H21N3O4S2 (C19 H21 N3 O4 S2)

Compound Name

N-(2-ethoxyphenyl)-2-(N-methyl2-methyl-1,3-benzothiazole-6-sulfonamido)acetamide

IUPAC name

N-(2-ethoxyphenyl)-2-(N-methyl2-methyl-13-benzothiazole-6-sulfonamido)acetamide

SMILES

CCOc(cccc1)c1NC(CN(C)S(c(cc1)cc2c1nc(C)s2)(=O)=O)=O

InChI

InChI=1S/C19H21N3O4S2/c1-4-26-17-8-6-5-7-15(17)21-19(23)12-22(3)28(24,25)14-9-10-16-18(11-14)27-13(2)20-16/h5-11H,4,12H2,1-3H3,(H,21,23)

InChI Key

WXBXQVUOWYGOMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.420

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-3.78

Polar Surface Area

71.991

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C852-0246 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 C852-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C852-0246?
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What is the minimum amount of C852-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C852-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C852-0246
  • 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 C852-0246 available by request