F396-0627 Screening compound: N~1~-cyclohexyl-2-{[3-(2-ethoxybenzyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

F396-0627 Screening compound: N~1~-cyclohexyl-2-{[3-(2-ethoxybenzyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
F396-0627 Screening compound: N~1~-cyclohexyl-2-{[3-(2-ethoxybenzyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F396-0627
N~1~-cyclohexyl-2-{[3-(2-ethoxybenzyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}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

F396-0627

Molecular Formula

C26H28N4O3S2 (C26 H28 N4 O3 S2)

Compound Name

N~1~-cyclohexyl-2-{[3-(2-ethoxybenzyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

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

SMILES

CCOc1c(CN(C2=O)C(SCC(NC3CCCCC3)=O)=Nc3c2sc2ncccc23)cccc1

InChI

InChI=1S/C26H28N4O3S2/c1-2-33-20-13-7-6-9-17(20)15-30-25(32)23-22(19-12-8-14-27-24(19)35-23)29-26(30)34-16-21(31)28-18-10-4-3-5-11-18/h6-9,12-14,18H,2-5,10-11,15-16H2,1H3,(H,28,31)

InChI Key

WVPXBIILICUSOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27122846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.888

Distribution Coefficient, logD

4.888

Water Solubility, LogSw

-4.60

Polar Surface Area

65.079

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

F396-0627 in Drug Discovery

Included in Screening Libraries

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

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 F396-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F396-0627?
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What is the minimum amount of F396-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F396-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F396-0627
  • 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 F396-0627 available by request