F396-0812 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~-phenethylacetamide

F396-0812 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~-phenethylacetamide
F396-0812 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~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F396-0812
2-{[3-(4-fluorobenzyl)-4-oxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-phenethylacetamide

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

F396-0812

Molecular Formula

C26H21FN4O2S2 (C26 H21 FN4 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~-phenethylacetamide

IUPAC name

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)-N-(2-phenylethyl)acetamide

SMILES

O=C(CSC(N(Cc(cc1)ccc1F)C1=O)=Nc2c1sc1ncccc12)NCCc1ccccc1

InChI

InChI=1S/C26H21FN4O2S2/c27-19-10-8-18(9-11-19)15-31-25(33)23-22(20-7-4-13-29-24(20)35-23)30-26(31)34-16-21(32)28-14-12-17-5-2-1-3-6-17/h1-11,13H,12,14-16H2,(H,28,32)

InChI Key

GKTHPLWMKHECET-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27122972

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

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.137

Distribution Coefficient, logD

4.137

Water Solubility, LogSw

-4.37

Polar Surface Area

57.984

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with F396-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F396-0812?
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What is the minimum amount of F396-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F396-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F396-0812
  • 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 F396-0812 available by request