F795-0002 Screening compound: N~1~-cyclohexyl-2-[3-[3-(methylsulfanyl)phenyl]-2,4-dioxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

F795-0002 Screening compound: N~1~-cyclohexyl-2-[3-[3-(methylsulfanyl)phenyl]-2,4-dioxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl]acetamide
F795-0002 Screening compound: N~1~-cyclohexyl-2-[3-[3-(methylsulfanyl)phenyl]-2,4-dioxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F795-0002
N~1~-cyclohexyl-2-[3-[3-(methylsulfanyl)phenyl]-2,4-dioxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl]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

F795-0002

Molecular Formula

C24H24N4O3S2 (C24 H24 N4 O3 S2)

Compound Name

N~1~-cyclohexyl-2-[3-[3-(methylsulfanyl)phenyl]-2,4-dioxo-3,4-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-1(2H)-yl]acetamide

IUPAC name

N-cyclohexyl-2-{5-[3-(methylsulfanyl)phenyl]-46-dioxo-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)1012-tetraen-3-yl}acetamide

SMILES

CSc1cccc(N(C(c(sc2ncccc22)c2N2CC(NC3CCCCC3)=O)=O)C2=O)c1

InChI

InChI=1S/C24H24N4O3S2/c1-32-17-10-5-9-16(13-17)28-23(30)21-20(18-11-6-12-25-22(18)33-21)27(24(28)31)14-19(29)26-15-7-3-2-4-8-15/h5-6,9-13,15H,2-4,7-8,14H2,1H3,(H,26,29)

InChI Key

GHLZKTBADCWELY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27190821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.844

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-4.00

Polar Surface Area

66.162

Acid Dissociation Constant (pKa)

15.90

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F795-0002 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with F795-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F795-0002?
Check Price and Availability of F795-0002, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F795-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F795-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F795-0002
  • 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 F795-0002 available by request