C493-0834 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide

C493-0834 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide
C493-0834 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C493-0834
N-[2-(4-chlorophenyl)ethyl]-2-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide

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

C493-0834

Molecular Formula

C27H27ClN2O2S (C27 H27 ClN2 O2 S)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-{4-[(4-methylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}propanamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-{4-[(4-methylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-yl}propanamide

SMILES

CC(C1Sc(cccc2)c2N(Cc2ccc(C)cc2)C1=O)C(NCCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C27H27ClN2O2S/c1-18-7-9-21(10-8-18)17-30-23-5-3-4-6-24(23)33-25(27(30)32)19(2)26(31)29-16-15-20-11-13-22(28)14-12-20/h3-14,19,25H,15-17H2,1-2H3,(H,29,31)

InChI Key

IKPHKIKKHUJRGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.04

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.448

Distribution Coefficient, logD

5.448

Water Solubility, LogSw

-5.77

Polar Surface Area

39.596

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

C493-0834 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C493-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C493-0834?
Check Price and Availability of C493-0834, 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 C493-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C493-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C493-0834
  • 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 C493-0834 available by request