F396-0726 Screening compound: 2-[(3-benzyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-methoxyphenyl)acetamide

F396-0726 Screening compound: 2-[(3-benzyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-methoxyphenyl)acetamide
F396-0726 Screening compound: 2-[(3-benzyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F396-0726
2-[(3-benzyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-methoxyphenyl)acetamide

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

F396-0726

Molecular Formula

C25H20N4O3S2 (C25 H20 N4 O3 S2)

Compound Name

2-[(3-benzyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-methoxyphenyl)acetamide

IUPAC name

2-({5-benzyl-6-oxo-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide

SMILES

COc(cc1)ccc1NC(CSC(N(Cc1ccccc1)C1=O)=Nc2c1sc1ncccc12)=O

InChI

InChI=1S/C25H20N4O3S2/c1-32-18-11-9-17(10-12-18)27-20(30)15-33-25-28-21-19-8-5-13-26-23(19)34-22(21)24(31)29(25)14-16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,27,30)

InChI Key

PMJQXYGZUXBMIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11997181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.634

Distribution Coefficient, logD

4.634

Water Solubility, LogSw

-4.32

Polar Surface Area

64.365

Acid Dissociation Constant (pKa)

12.70

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with F396-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F396-0726?
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What is the minimum amount of F396-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F396-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F396-0726
  • 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 F396-0726 available by request