C306-0513 Screening compound: 2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]-N-[3-(propan-2-yloxy)propyl]acetamide

C306-0513 Screening compound: 2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]-N-[3-(propan-2-yloxy)propyl]acetamide
C306-0513 Screening compound: 2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]-N-[3-(propan-2-yloxy)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C306-0513
2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]-N-[3-(propan-2-yloxy)propyl]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

C306-0513

Molecular Formula

C16H20N2O3S (C16 H20 N2 O3 S)

Compound Name

2-[(2Z)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]-N-[3-(propan-2-yloxy)propyl]acetamide

IUPAC name

2-[(2Z)-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]-N-[3-(propan-2-yloxy)propyl]acetamide

SMILES

CC(C)OCCCNC(/C=C1\Sc(cccc2)c2NC1=O)=O

InChI

InChI=1S/C16H20N2O3S/c1-11(2)21-9-5-8-17-15(19)10-14-16(20)18-12-6-3-4-7-13(12)22-14/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,17,19)(H,18,20)

InChI Key

NATQFGZVINEIAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.768

Distribution Coefficient, logD

1.768

Water Solubility, LogSw

-2.30

Polar Surface Area

56.630

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with C306-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C306-0513?
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What is the minimum amount of C306-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C306-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C306-0513
  • 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 C306-0513 available by request