4676-0036 Screening compound: N-(4-methyl-2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide

4676-0036 Screening compound: N-(4-methyl-2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide
4676-0036 Screening compound: N-(4-methyl-2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4676-0036
N-(4-methyl-2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)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

4676-0036

Molecular Formula

C17H15N3O4S (C17 H15 N3 O4 S)

Compound Name

N-(4-methyl-2-nitrophenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide

IUPAC name

N-(4-methyl-2-nitrophenyl)-2-(3-oxo-34-dihydro-2H-14-benzothiazin-2-yl)acetamide

SMILES

Cc(cc1)cc([N+]([O-])=O)c1NC(CC1Sc(cccc2)c2NC1=O)=O

InChI

InChI=1S/C17H15N3O4S/c1-10-6-7-11(13(8-10)20(23)24)18-16(21)9-15-17(22)19-12-4-2-3-5-14(12)25-15/h2-8,15H,9H2,1H3,(H,18,21)(H,19,22)/t15-/m0/s1

InChI Key

QGGBQVDULWEUCX-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00563407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.000

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.49

Polar Surface Area

80.377

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 4676-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4676-0036?
Check Price and Availability of 4676-0036, 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 4676-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4676-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4676-0036
  • 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 4676-0036 available by request