F399-0699 Screening compound: 2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-(2-phenylpropyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

F399-0699 Screening compound: 2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-(2-phenylpropyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
F399-0699 Screening compound: 2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-(2-phenylpropyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F399-0699
2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-3-(2-phenylpropyl)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

F399-0699

Molecular Formula

C27H23N3O3S2 (C27 H23 N3 O3 S2)

Compound Name

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

IUPAC name

4-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-5-(2-phenylpropyl)-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

CC(CN(C1=O)C(SCC(c2cc(OC)ccc2)=O)=Nc2c1sc1ncccc12)c1ccccc1

InChI

InChI=1S/C27H23N3O3S2/c1-17(18-8-4-3-5-9-18)15-30-26(32)24-23(21-12-7-13-28-25(21)35-24)29-27(30)34-16-22(31)19-10-6-11-20(14-19)33-2/h3-14,17H,15-16H2,1-2H3/t17-/m0/s1

InChI Key

YLARUHIGWZRKSJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27123752

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.955

Distribution Coefficient, logD

5.955

Water Solubility, LogSw

-5.72

Polar Surface Area

54.462

Acid Dissociation Constant (pKa)

24.00

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

F399-0699 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F399-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F399-0699?
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What is the minimum amount of F399-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F399-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F399-0699
  • 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 F399-0699 available by request