F396-0907 Screening compound: 2-{[2-(1-azepanyl)-2-oxoethyl]sulfanyl}-3-(4-methylbenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F396-0907 Screening compound: 2-{[2-(1-azepanyl)-2-oxoethyl]sulfanyl}-3-(4-methylbenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F396-0907 Screening compound: 2-{[2-(1-azepanyl)-2-oxoethyl]sulfanyl}-3-(4-methylbenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F396-0907
2-{[2-(1-azepanyl)-2-oxoethyl]sulfanyl}-3-(4-methylbenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

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

F396-0907

Molecular Formula

C25H26N4O2S2 (C25 H26 N4 O2 S2)

Compound Name

2-{[2-(1-azepanyl)-2-oxoethyl]sulfanyl}-3-(4-methylbenzyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

4-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-5-[(4-methylphenyl)methyl]-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

Cc1ccc(CN(C2=O)C(SCC(N3CCCCCC3)=O)=Nc3c2sc2ncccc23)cc1

InChI

InChI=1S/C25H26N4O2S2/c1-17-8-10-18(11-9-17)15-29-24(31)22-21(19-7-6-12-26-23(19)33-22)27-25(29)32-16-20(30)28-13-4-2-3-5-14-28/h6-12H,2-5,13-16H2,1H3

InChI Key

DYDAGAODJRBMRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.834

Distribution Coefficient, logD

4.834

Water Solubility, LogSw

-4.67

Polar Surface Area

50.395

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

F396-0907 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F396-0907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F396-0907?
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What is the minimum amount of F396-0907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F396-0907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F396-0907
  • 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 F396-0907 available by request