5756-2265 Screening compound: propan-2-yl 6-(3-chlorophenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

5756-2265 Screening compound: propan-2-yl 6-(3-chlorophenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
5756-2265 Screening compound: propan-2-yl 6-(3-chlorophenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5756-2265
propan-2-yl 6-(3-chlorophenyl)-8-methyl-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

5756-2265

Molecular Formula

C18H19ClN2O3S (C18 H19 ClN2 O3 S)

Compound Name

propan-2-yl 6-(3-chlorophenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

IUPAC name

propan-2-yl 6-(3-chlorophenyl)-8-methyl-4-oxo-2H3H4H6H-pyrimido[21-b][13]thiazine-7-carboxylate

SMILES

CC(C)OC(C(C(c1cccc(Cl)c1)N12)=C(C)N=C1SCCC2=O)=O

InChI

InChI=1S/C18H19ClN2O3S/c1-10(2)24-17(23)15-11(3)20-18-21(14(22)7-8-25-18)16(15)12-5-4-6-13(19)9-12/h4-6,9-10,16H,7-8H2,1-3H3/t16-/m0/s1

InChI Key

PSUBQEFDIOQWAP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03529993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.613

Distribution Coefficient, logD

1.880

Water Solubility, LogSw

-3.87

Polar Surface Area

45.610

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 5756-2265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5756-2265?
Check Price and Availability of 5756-2265, 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 5756-2265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5756-2265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5756-2265
  • 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 5756-2265 available by request