C493-1090 Screening compound: 2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-[2-(4-methylphenyl)ethyl]propanamide

C493-1090 Screening compound: 2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-[2-(4-methylphenyl)ethyl]propanamide
C493-1090 Screening compound: 2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-[2-(4-methylphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C493-1090
2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-[2-(4-methylphenyl)ethyl]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

C493-1090

Molecular Formula

C29H32N2O2S (C29 H32 N2 O2 S)

Compound Name

2-{4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl}-N-[2-(4-methylphenyl)ethyl]propanamide

IUPAC name

2-{4-[(25-dimethylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-yl}-N-[2-(4-methylphenyl)ethyl]propanamide

SMILES

CC(C1Sc(cccc2)c2N(Cc2c(C)ccc(C)c2)C1=O)C(NCCc1ccc(C)cc1)=O

InChI

InChI=1S/C29H32N2O2S/c1-19-10-13-23(14-11-19)15-16-30-28(32)22(4)27-29(33)31(25-7-5-6-8-26(25)34-27)18-24-17-20(2)9-12-21(24)3/h5-14,17,22,27H,15-16,18H2,1-4H3,(H,30,32)

InChI Key

JUFGOJHRNPMEFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.65

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

5.900

Distribution Coefficient, logD

5.900

Water Solubility, LogSw

-5.33

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

31.00

C493-1090 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 C493-1090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C493-1090?
Check Price and Availability of C493-1090, 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 C493-1090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C493-1090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C493-1090
  • 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 C493-1090 available by request