6540-0178 Screening compound: 7-benzyl-2-(4-hydroxyphenyl)-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol

6540-0178 Screening compound: 7-benzyl-2-(4-hydroxyphenyl)-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-ol
6540-0178 Screening compound: 7-benzyl-2-(4-hydroxyphenyl)-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 6540-0178
7-benzyl-2-(4-hydroxyphenyl)-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

6540-0178

Molecular Formula

C22H21N3O2S (C22 H21 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Oc1ccc(C(Nc2c3c(CCN(Cc4ccccc4)C4)c4s2)N=C3O)cc1

InChI

InChI=1S/C22H21N3O2S/c26-16-8-6-15(7-9-16)20-23-21(27)19-17-10-11-25(12-14-4-2-1-3-5-14)13-18(17)28-22(19)24-20/h1-9,20,24,26H,10-13H2,(H,23,27)/t20-/m1/s1

InChI Key

WYFJZBXPAKAKRB-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

3.392

Water Solubility, LogSw

-3.75

Polar Surface Area

56.700

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 6540-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6540-0178?
Check Price and Availability of 6540-0178, 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 6540-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6540-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6540-0178
  • 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 6540-0178 available by request