7218-1400 Screening compound: 6-(butylsulfanyl)-2-[4-(dimethylamino)phenyl]-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile

7218-1400 Screening compound: 6-(butylsulfanyl)-2-[4-(dimethylamino)phenyl]-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile
7218-1400 Screening compound: 6-(butylsulfanyl)-2-[4-(dimethylamino)phenyl]-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 7218-1400
6-(butylsulfanyl)-2-[4-(dimethylamino)phenyl]-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile

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

7218-1400

Molecular Formula

C17H21N3OS2 (C17 H21 N3 OS2)

Compound Name

6-(butylsulfanyl)-2-[4-(dimethylamino)phenyl]-4-oxo-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile

IUPAC name

6-(butylsulfanyl)-2-[4-(dimethylamino)phenyl]-4-oxo-34-dihydro-2H-13-thiazine-5-carbonitrile

SMILES

CCCCSC(SC(c(cc1)ccc1N(C)C)NC1=O)=C1C#N

InChI

InChI=1S/C17H21N3OS2/c1-4-5-10-22-17-14(11-18)15(21)19-16(23-17)12-6-8-13(9-7-12)20(2)3/h6-9,16H,4-5,10H2,1-3H3,(H,19,21)/t16-/m0/s1

InChI Key

ATEKGCNOICIETP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03861671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.327

Distribution Coefficient, logD

4.316

Water Solubility, LogSw

-4.10

Polar Surface Area

44.667

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

8.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 7218-1400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7218-1400?
Check Price and Availability of 7218-1400, 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 7218-1400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7218-1400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7218-1400
  • 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 7218-1400 available by request