C852-0227 Screening compound: N-(3-ethylphenyl)-2-{methyl[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino}acetamide

C852-0227 Screening compound: N-(3-ethylphenyl)-2-{methyl[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino}acetamide
C852-0227 Screening compound: N-(3-ethylphenyl)-2-{methyl[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C852-0227
N-(3-ethylphenyl)-2-{methyl[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino}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

C852-0227

Molecular Formula

C19H21N3O3S2 (C19 H21 N3 O3 S2)

Compound Name

N-(3-ethylphenyl)-2-{methyl[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino}acetamide

IUPAC name

N-(3-ethylphenyl)-2-(N-methyl2-methyl-13-benzothiazole-6-sulfonamido)acetamide

SMILES

CCc1cccc(NC(CN(C)S(c(cc2)cc3c2nc(C)s3)(=O)=O)=O)c1

InChI

InChI=1S/C19H21N3O3S2/c1-4-14-6-5-7-15(10-14)21-19(23)12-22(3)27(24,25)16-8-9-17-18(11-16)26-13(2)20-17/h5-11H,4,12H2,1-3H3,(H,21,23)

InChI Key

VXSNCLVWLXPQRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.036

Distribution Coefficient, logD

4.036

Water Solubility, LogSw

-3.99

Polar Surface Area

65.479

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

References: we are preparing a list of scientific research reports with C852-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C852-0227?
Check Price and Availability of C852-0227, 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 C852-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C852-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C852-0227
  • 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 C852-0227 available by request