5756-2893 Screening compound: benzyl 6-(3-bromophenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate

5756-2893 Screening compound: benzyl 6-(3-bromophenyl)-8-methyl-4-oxo-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
5756-2893 Screening compound: benzyl 6-(3-bromophenyl)-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 5756-2893
benzyl 6-(3-bromophenyl)-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

5756-2893

Molecular Formula

C22H19BrN2O3S (C22 H19 BrN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(N=C(N1C2c3cccc(Br)c3)SCCC1=O)=C2C(OCc1ccccc1)=O

InChI

InChI=1S/C22H19BrN2O3S/c1-14-19(21(27)28-13-15-6-3-2-4-7-15)20(16-8-5-9-17(23)12-16)25-18(26)10-11-29-22(25)24-14/h2-9,12,20H,10-11,13H2,1H3/t20-/m0/s1

InChI Key

UWEQBUPWLYCXED-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03529999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.485

Distribution Coefficient, logD

3.885

Water Solubility, LogSw

-4.66

Polar Surface Area

46.035

Acid Dissociation Constant (pKa)

22.13

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

5756-2893 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 5756-2893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5756-2893?
Check Price and Availability of 5756-2893, 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 5756-2893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5756-2893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5756-2893
  • 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 5756-2893 available by request