6540-0190 Screening compound: 7-benzyl-2-(4-methylphenyl)-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol

6540-0190 Screening compound: 7-benzyl-2-(4-methylphenyl)-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
6540-0190 Screening compound: 7-benzyl-2-(4-methylphenyl)-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 6540-0190
7-benzyl-2-(4-methylphenyl)-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

6540-0190

Molecular Formula

C23H23N3OS (C23 H23 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(Nc2c3c(CCN(Cc4ccccc4)C4)c4s2)N=C3O)cc1

InChI

InChI=1S/C23H23N3OS/c1-15-7-9-17(10-8-15)21-24-22(27)20-18-11-12-26(13-16-5-3-2-4-6-16)14-19(18)28-23(20)25-21/h2-10,21,25H,11-14H2,1H3,(H,24,27)/t21-/m1/s1

InChI Key

GCHMUTZORLOQCN-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14711771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.509

Distribution Coefficient, logD

4.435

Water Solubility, LogSw

-4.31

Polar Surface Area

39.083

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

6540-0190 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 6540-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6540-0190?
Check Price and Availability of 6540-0190, 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 6540-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6540-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6540-0190
  • 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 6540-0190 available by request