8019-1461 Screening compound: 8,8-dimethyl-3-(1-phenylethyl)-1,2,3,4,8,9-hexahydro-5H-pyrimido[5,4-e][1,3]thiazolo[3,2-a]pyrimidin-5-one

8019-1461 Screening compound: 8,8-dimethyl-3-(1-phenylethyl)-1,2,3,4,8,9-hexahydro-5H-pyrimido[5,4-e][1,3]thiazolo[3,2-a]pyrimidin-5-one
8019-1461 Screening compound: 8,8-dimethyl-3-(1-phenylethyl)-1,2,3,4,8,9-hexahydro-5H-pyrimido[5,4-e][1,3]thiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1461
8,8-dimethyl-3-(1-phenylethyl)-1,2,3,4,8,9-hexahydro-5H-pyrimido[5,4-e][1,3]thiazolo[3,2-a]pyrimidin-5-one

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

8019-1461

Molecular Formula

C18H22N4OS (C18 H22 N4 OS)

Compound Name

8,8-dimethyl-3-(1-phenylethyl)-1,2,3,4,8,9-hexahydro-5H-pyrimido[5,4-e][1,3]thiazolo[3,2-a]pyrimidin-5-one

IUPAC name

44-dimethyl-11-(1-phenylethyl)-5-thia-271113-tetraazatricyclo[7.4.0.0^{26}]trideca-1(9)6-dien-8-one

SMILES

CC(c1ccccc1)N(C1)CNC(N(CC(C)(C)S2)C2=N2)=C1C2=O

InChI

InChI=1S/C18H22N4OS/c1-12(13-7-5-4-6-8-13)21-9-14-15(19-11-21)22-10-18(2,3)24-17(22)20-16(14)23/h4-8,12,19H,9-11H2,1-3H3/t12-/m0/s1

InChI Key

ZTWQVVDMSZZHPP-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.822

Distribution Coefficient, logD

2.745

Water Solubility, LogSw

-3.14

Polar Surface Area

39.565

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

References: we are preparing a list of scientific research reports with 8019-1461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1461?
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What is the minimum amount of 8019-1461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1461
  • 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 8019-1461 available by request