5510-0978 Screening compound: 2-(4-ethylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol

5510-0978 Screening compound: 2-(4-ethylphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
5510-0978 Screening compound: 2-(4-ethylphenyl)-7-methyl-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 5510-0978
2-(4-ethylphenyl)-7-methyl-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

5510-0978

Molecular Formula

C18H21N3OS (C18 H21 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(C(Nc2c3c(CCN(C)C4)c4s2)N=C3O)cc1

InChI

InChI=1S/C18H21N3OS/c1-3-11-4-6-12(7-5-11)16-19-17(22)15-13-8-9-21(2)10-14(13)23-18(15)20-16/h4-7,16,20H,3,8-10H2,1-2H3,(H,19,22)/t16-/m1/s1

InChI Key

GJYQSNPERFPGPI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD03796445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.276

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.38

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

38.89

5510-0978 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 5510-0978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5510-0978?
Check Price and Availability of 5510-0978, 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 5510-0978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5510-0978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5510-0978
  • 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 5510-0978 available by request