5510-0935 Screening compound: 2-(2-hydroxy-3-methoxyphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol

5510-0935 Screening compound: 2-(2-hydroxy-3-methoxyphenyl)-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
5510-0935 Screening compound: 2-(2-hydroxy-3-methoxyphenyl)-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 5510-0935
2-(2-hydroxy-3-methoxyphenyl)-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

5510-0935

Molecular Formula

C17H19N3O3S (C17 H19 N3 O3 S)

Compound Name

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

IUPAC name

5-(2-hydroxy-3-methoxyphenyl)-11-methyl-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(cccc1OC)c1O)N1)c1s2

InChI

InChI=1S/C17H19N3O3S/c1-20-7-6-9-12(8-20)24-17-13(9)16(22)18-15(19-17)10-4-3-5-11(23-2)14(10)21/h3-5,15,19,21H,6-8H2,1-2H3,(H,18,22)/t15-/m1/s1

InChI Key

PUTSJLCZEYTBCK-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03307123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.062

Distribution Coefficient, logD

1.685

Water Solubility, LogSw

-2.41

Polar Surface Area

62.129

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

5510-0935 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5510-0935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5510-0935?
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What is the minimum amount of 5510-0935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5510-0935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5510-0935
  • 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 5510-0935 available by request