F396-0820 Screening compound: 2-{[3-(4-fluorobenzyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)acetamide

F396-0820 Screening compound: 2-{[3-(4-fluorobenzyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)acetamide
F396-0820 Screening compound: 2-{[3-(4-fluorobenzyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F396-0820
2-{[3-(4-fluorobenzyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(4-fluorophenyl)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

F396-0820

Molecular Formula

C24H16F2N4O2S2 (C24 H16 F2 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(N(Cc(cc1)ccc1F)C1=O)=Nc2c1sc1ncccc12)Nc(cc1)ccc1F

InChI

InChI=1S/C24H16F2N4O2S2/c25-15-5-3-14(4-6-15)12-30-23(32)21-20(18-2-1-11-27-22(18)34-21)29-24(30)33-13-19(31)28-17-9-7-16(26)8-10-17/h1-11H,12-13H2,(H,28,31)

InChI Key

OWGGKDPMPZHZAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11997187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.710

Distribution Coefficient, logD

4.710

Water Solubility, LogSw

-4.75

Polar Surface Area

56.821

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

F396-0820 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F396-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F396-0820?
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What is the minimum amount of F396-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F396-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F396-0820
  • 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 F396-0820 available by request