F396-0917 Screening compound: N~1~-(2-fluorophenyl)-2-{[4-oxo-3-(2-phenylpropyl)-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

F396-0917 Screening compound: N~1~-(2-fluorophenyl)-2-{[4-oxo-3-(2-phenylpropyl)-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
F396-0917 Screening compound: N~1~-(2-fluorophenyl)-2-{[4-oxo-3-(2-phenylpropyl)-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 F396-0917
N~1~-(2-fluorophenyl)-2-{[4-oxo-3-(2-phenylpropyl)-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

F396-0917

Molecular Formula

C26H21FN4O2S2 (C26 H21 FN4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(CN(C1=O)C(SCC(Nc(cccc2)c2F)=O)=Nc2c1sc1ncccc12)c1ccccc1

InChI

InChI=1S/C26H21FN4O2S2/c1-16(17-8-3-2-4-9-17)14-31-25(33)23-22(18-10-7-13-28-24(18)35-23)30-26(31)34-15-21(32)29-20-12-6-5-11-19(20)27/h2-13,16H,14-15H2,1H3,(H,29,32)/t16-/m0/s1

InChI Key

OWZDRWMTWIJXHX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27123050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.310

Distribution Coefficient, logD

5.310

Water Solubility, LogSw

-5.39

Polar Surface Area

56.123

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

F396-0917 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F396-0917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F396-0917?
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What is the minimum amount of F396-0917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F396-0917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F396-0917
  • 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 F396-0917 available by request