F396-0897 Screening compound: 3-(4-methylbenzyl)-2-{[2-(2-methylpiperidino)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F396-0897 Screening compound: 3-(4-methylbenzyl)-2-{[2-(2-methylpiperidino)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F396-0897 Screening compound: 3-(4-methylbenzyl)-2-{[2-(2-methylpiperidino)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F396-0897
3-(4-methylbenzyl)-2-{[2-(2-methylpiperidino)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

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

F396-0897

Molecular Formula

C25H26N4O2S2 (C25 H26 N4 O2 S2)

Compound Name

3-(4-methylbenzyl)-2-{[2-(2-methylpiperidino)-2-oxoethyl]sulfanyl}pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

5-[(4-methylphenyl)methyl]-4-{[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

CC(CCCC1)N1C(CSC(N(Cc1ccc(C)cc1)C1=O)=Nc2c1sc1ncccc12)=O

InChI

InChI=1S/C25H26N4O2S2/c1-16-8-10-18(11-9-16)14-29-24(31)22-21(19-7-5-12-26-23(19)33-22)27-25(29)32-15-20(30)28-13-4-3-6-17(28)2/h5,7-12,17H,3-4,6,13-15H2,1-2H3/t17-/m0/s1

InChI Key

YZEWJRXAMLXKEC-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27123037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.664

Distribution Coefficient, logD

4.664

Water Solubility, LogSw

-4.24

Polar Surface Area

49.349

Acid Dissociation Constant (pKa)

27.07

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with F396-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F396-0897?
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What is the minimum amount of F396-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F396-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F396-0897
  • 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 F396-0897 available by request