3505-6159 Screening compound: 2-amino-N-(3-chloro-4-methylphenyl)-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide

3505-6159 Screening compound: 2-amino-N-(3-chloro-4-methylphenyl)-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide
3505-6159 Screening compound: 2-amino-N-(3-chloro-4-methylphenyl)-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3505-6159
2-amino-N-(3-chloro-4-methylphenyl)-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide

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

3505-6159

Molecular Formula

C12H12ClN3O2S (C12 H12 ClN3 O2 S)

Compound Name

2-amino-N-(3-chloro-4-methylphenyl)-4-oxo-5,6-dihydro-4H-1,3-thiazine-6-carboxamide

IUPAC name

2-amino-N-(3-chloro-4-methylphenyl)-4-oxo-56-dihydro-4H-13-thiazine-6-carboxamide

SMILES

Cc(ccc(NC(C(C1)SC(N)=NC1=O)=O)c1)c1Cl

InChI

InChI=1S/C12H12ClN3O2S/c1-6-2-3-7(4-8(6)13)15-11(18)9-5-10(17)16-12(14)19-9/h2-4,9H,5H2,1H3,(H,15,18)(H2,14,16,17)/t9-/m0/s1

InChI Key

PSVZDOYIZKOBFY-VIFPVBQESA-N

MDL Number (MFCD)

MFCD01975580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.77

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.934

Distribution Coefficient, logD

1.933

Water Solubility, LogSw

-2.95

Polar Surface Area

65.744

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3505-6159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3505-6159?
Check Price and Availability of 3505-6159, 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 3505-6159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3505-6159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3505-6159
  • 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 3505-6159 available by request