L862-1395 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[5,7-dioxo-2-(piperidin-1-yl)-6-propyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide

L862-1395 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[5,7-dioxo-2-(piperidin-1-yl)-6-propyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
L862-1395 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[5,7-dioxo-2-(piperidin-1-yl)-6-propyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L862-1395
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[5,7-dioxo-2-(piperidin-1-yl)-6-propyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-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

L862-1395

Molecular Formula

C23H33N5O3S (C23 H33 N5 O3 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[5,7-dioxo-2-(piperidin-1-yl)-6-propyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[57-dioxo-2-(piperidin-1-yl)-6-propyl-4H5H6H7H-[13]thiazolo[45-d]pyrimidin-4-yl]acetamide

SMILES

CCCN(C(c1c(N2CC(NCCC3=CCCCC3)=O)nc(N3CCCCC3)s1)=O)C2=O

InChI

InChI=1S/C23H33N5O3S/c1-2-13-27-21(30)19-20(25-22(32-19)26-14-7-4-8-15-26)28(23(27)31)16-18(29)24-12-11-17-9-5-3-6-10-17/h9H,2-8,10-16H2,1H3,(H,24,29)

InChI Key

YITHUCCSSLUXIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.064

Distribution Coefficient, logD

4.064

Water Solubility, LogSw

-3.73

Polar Surface Area

70.578

Acid Dissociation Constant (pKa)

15.43

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.22

L862-1395 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)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L862-1395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L862-1395?
Check Price and Availability of L862-1395, 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 L862-1395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L862-1395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L862-1395
  • 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 L862-1395 available by request