8640-0115 Screening compound: methyl 2-[(7-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate

8640-0115 Screening compound: methyl 2-[(7-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
8640-0115 Screening compound: methyl 2-[(7-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0115
methyl 2-[(7-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate

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

8640-0115

Molecular Formula

C19H19N3O3S2 (C19 H19 N3 O3 S2)

Compound Name

methyl 2-[(7-methyl-4-oxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate

IUPAC name

methyl 2-({11-methyl-3-oxo-4-phenyl-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl}sulfanyl)acetate

SMILES

CN(CC1)Cc2c1c(C(N(c1ccccc1)C(SCC(OC)=O)=N1)=O)c1s2

InChI

InChI=1S/C19H19N3O3S2/c1-21-9-8-13-14(10-21)27-17-16(13)18(24)22(12-6-4-3-5-7-12)19(20-17)26-11-15(23)25-2/h3-7H,8-11H2,1-2H3

InChI Key

HPFNNMYQYRUSQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01561467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.171

Distribution Coefficient, logD

2.160

Water Solubility, LogSw

-2.42

Polar Surface Area

49.243

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

5.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

8640-0115 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8640-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0115?
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What is the minimum amount of 8640-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0115
  • 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 8640-0115 available by request