5756-1310 Screening compound: prop-2-en-1-yl 8-methyl-6-[4-(methylsulfanyl)phenyl]-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

5756-1310 Screening compound: prop-2-en-1-yl 8-methyl-6-[4-(methylsulfanyl)phenyl]-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
5756-1310 Screening compound: prop-2-en-1-yl 8-methyl-6-[4-(methylsulfanyl)phenyl]-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5756-1310
prop-2-en-1-yl 8-methyl-6-[4-(methylsulfanyl)phenyl]-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

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

5756-1310

Molecular Formula

C19H20N2O3S2 (C19 H20 N2 O3 S2)

Compound Name

prop-2-en-1-yl 8-methyl-6-[4-(methylsulfanyl)phenyl]-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

IUPAC name

prop-2-en-1-yl 8-methyl-6-[4-(methylsulfanyl)phenyl]-4-oxo-2H3H4H6H-pyrimido[21-b][13]thiazine-7-carboxylate

SMILES

CC(N=C(N1C2c(cc3)ccc3SC)SCCC1=O)=C2C(OCC=C)=O

InChI

InChI=1S/C19H20N2O3S2/c1-4-10-24-18(23)16-12(2)20-19-21(15(22)9-11-26-19)17(16)13-5-7-14(25-3)8-6-13/h4-8,17H,1,9-11H2,2-3H3/t17-/m1/s1

InChI Key

XDMPPEDXVDEHDG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03530182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.288

Distribution Coefficient, logD

2.689

Water Solubility, LogSw

-3.44

Polar Surface Area

46.225

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

5756-1310 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5756-1310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5756-1310?
Check Price and Availability of 5756-1310, 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 5756-1310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5756-1310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5756-1310
  • 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 5756-1310 available by request