5510-0965 Screening compound: 7-methyl-2-[4-(methylsulfanyl)phenyl]-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol

5510-0965 Screening compound: 7-methyl-2-[4-(methylsulfanyl)phenyl]-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
5510-0965 Screening compound: 7-methyl-2-[4-(methylsulfanyl)phenyl]-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5510-0965
7-methyl-2-[4-(methylsulfanyl)phenyl]-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol

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

5510-0965

Molecular Formula

C17H19N3OS2 (C17 H19 N3 OS2)

Compound Name

7-methyl-2-[4-(methylsulfanyl)phenyl]-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol

IUPAC name

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

SMILES

CN(CC1)Cc2c1c(C(O)=NC(c(cc1)ccc1SC)N1)c1s2

InChI

InChI=1S/C17H19N3OS2/c1-20-8-7-12-13(9-20)23-17-14(12)16(21)18-15(19-17)10-3-5-11(22-2)6-4-10/h3-6,15,19H,7-9H2,1-2H3,(H,18,21)/t15-/m1/s1

InChI Key

XZMZBIBRSIFFNG-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03816482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.065

Distribution Coefficient, logD

2.688

Water Solubility, LogSw

-3.12

Polar Surface Area

39.019

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

5510-0965 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 5510-0965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5510-0965?
Check Price and Availability of 5510-0965, 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 5510-0965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5510-0965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5510-0965
  • 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 5510-0965 available by request