F236-0055 Screening compound: 2-[7-(ethylsulfanyl)-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]-N-(3-methylphenyl)acetamide

F236-0055 Screening compound: 2-[7-(ethylsulfanyl)-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]-N-(3-methylphenyl)acetamide
F236-0055 Screening compound: 2-[7-(ethylsulfanyl)-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F236-0055
2-[7-(ethylsulfanyl)-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]-N-(3-methylphenyl)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

F236-0055

Molecular Formula

C17H17N5O2S (C17 H17 N5 O2 S)

Compound Name

2-[7-(ethylsulfanyl)-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]-N-(3-methylphenyl)acetamide

IUPAC name

2-[7-(ethylsulfanyl)-4-oxo-3H4H-[13]diazino[45-d]pyrimidin-3-yl]-N-(3-methylphenyl)acetamide

SMILES

CCSc(nc1)nc(N=CN2CC(Nc3cc(C)ccc3)=O)c1C2=O

InChI

InChI=1S/C17H17N5O2S/c1-3-25-17-18-8-13-15(21-17)19-10-22(16(13)24)9-14(23)20-12-6-4-5-11(2)7-12/h4-8,10H,3,9H2,1-2H3,(H,20,23)

InChI Key

NAKMGEZRCHOXBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27109430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.526

Distribution Coefficient, logD

2.526

Water Solubility, LogSw

-2.91

Polar Surface Area

67.879

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

F236-0055 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with F236-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F236-0055?
Check Price and Availability of F236-0055, 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 F236-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F236-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F236-0055
  • 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 F236-0055 available by request