F396-1190 Screening compound: 2-[(3-isobutyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-methyl-N~1~-phenylacetamide

F396-1190 Screening compound: 2-[(3-isobutyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-methyl-N~1~-phenylacetamide
F396-1190 Screening compound: 2-[(3-isobutyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-methyl-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F396-1190
2-[(3-isobutyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-methyl-N~1~-phenylacetamide

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

F396-1190

Molecular Formula

C22H22N4O2S2 (C22 H22 N4 O2 S2)

Compound Name

2-[(3-isobutyl-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-methyl-N~1~-phenylacetamide

IUPAC name

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

SMILES

CC(C)CN(C1=O)C(SCC(N(C)c2ccccc2)=O)=Nc2c1sc1ncccc12

InChI

InChI=1S/C22H22N4O2S2/c1-14(2)12-26-21(28)19-18(16-10-7-11-23-20(16)30-19)24-22(26)29-13-17(27)25(3)15-8-5-4-6-9-15/h4-11,14H,12-13H2,1-3H3

InChI Key

PAHGHIKYJCMRMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.733

Distribution Coefficient, logD

3.733

Water Solubility, LogSw

-3.94

Polar Surface Area

49.056

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F396-1190 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with F396-1190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F396-1190?
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What is the minimum amount of F396-1190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F396-1190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F396-1190
  • 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 F396-1190 available by request