F282-0004 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4-amine

F282-0004 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4-amine
F282-0004 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F282-0004
N-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4-amine

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

F282-0004

Molecular Formula

C20H28N4O2S2 (C20 H28 N4 O2 S2)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-4-amine

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-6-methyl-5-(piperidine-1-sulfonyl)thieno[23-d]pyrimidin-4-amine

SMILES

Cc(sc1ncnc(NCCC2=CCCCC2)c11)c1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C20H28N4O2S2/c1-15-18(28(25,26)24-12-6-3-7-13-24)17-19(22-14-23-20(17)27-15)21-11-10-16-8-4-2-5-9-16/h8,14H,2-7,9-13H2,1H3,(H,21,22,23)

InChI Key

RXGYRQLVMDFYNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14947106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

4.066

Water Solubility, LogSw

-4.14

Polar Surface Area

63.772

Acid Dissociation Constant (pKa)

16.46

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

F282-0004 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F282-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F282-0004?
Check Price and Availability of F282-0004, 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 F282-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F282-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F282-0004
  • 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 F282-0004 available by request