F236-0030 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[7-(ethylsulfanyl)-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamide

F236-0030 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[7-(ethylsulfanyl)-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamide
F236-0030 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[7-(ethylsulfanyl)-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F236-0030
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[7-(ethylsulfanyl)-4-oxo-3H,4H-[1,3]diazino[4,5-d]pyrimidin-3-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

F236-0030

Molecular Formula

C18H23N5O2S (C18 H23 N5 O2 S)

Compound Name

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

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[7-(ethylsulfanyl)-4-oxo-3H4H-[13]diazino[45-d]pyrimidin-3-yl]acetamide

SMILES

CCSc(nc1)nc(N=CN2CC(NCCC3=CCCCC3)=O)c1C2=O

InChI

InChI=1S/C18H23N5O2S/c1-2-26-18-20-10-14-16(22-18)21-12-23(17(14)25)11-15(24)19-9-8-13-6-4-3-5-7-13/h6,10,12H,2-5,7-9,11H2,1H3,(H,19,24)

InChI Key

KTKIDIXPRWCZTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09779730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.889

Distribution Coefficient, logD

1.889

Water Solubility, LogSw

-2.43

Polar Surface Area

69.235

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F236-0030 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F236-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F236-0030?
Check Price and Availability of F236-0030, 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 F236-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F236-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F236-0030
  • 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 F236-0030 available by request