F399-0748 Screening compound: 3-butyl-2-[(2-methylbenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F399-0748 Screening compound: 3-butyl-2-[(2-methylbenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F399-0748 Screening compound: 3-butyl-2-[(2-methylbenzyl)sulfanyl]pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F399-0748
3-butyl-2-[(2-methylbenzyl)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

F399-0748

Molecular Formula

C21H21N3OS2 (C21 H21 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C1=O)C(SCc2c(C)cccc2)=Nc2c1sc1ncccc12

InChI

InChI=1S/C21H21N3OS2/c1-3-4-12-24-20(25)18-17(16-10-7-11-22-19(16)27-18)23-21(24)26-13-15-9-6-5-8-14(15)2/h5-11H,3-4,12-13H2,1-2H3

InChI Key

VGUXDUGXUIYECZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27123757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.716

Distribution Coefficient, logD

5.716

Water Solubility, LogSw

-5.42

Polar Surface Area

33.921

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with F399-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F399-0748?
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What is the minimum amount of F399-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F399-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F399-0748
  • 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 F399-0748 available by request