L862-0450 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide

L862-0450 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
L862-0450 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L862-0450
N-(2H-1,3-benzodioxol-5-yl)-2-[5,7-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-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

L862-0450

Molecular Formula

C22H23N5O5S (C22 H23 N5 O5 S)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[57-dioxo-2-(piperidin-1-yl)-6-(prop-2-en-1-yl)-4H5H6H7H-[13]thiazolo[45-d]pyrimidin-4-yl]acetamide

SMILES

C=CCN(C(c1c(N2CC(Nc(cc3)cc4c3OCO4)=O)nc(N3CCCCC3)s1)=O)C2=O

InChI

InChI=1S/C22H23N5O5S/c1-2-8-26-20(29)18-19(24-21(33-18)25-9-4-3-5-10-25)27(22(26)30)12-17(28)23-14-6-7-15-16(11-14)32-13-31-15/h2,6-7,11H,1,3-5,8-10,12-13H2,(H,23,28)

InChI Key

HSCQDABWDBGBMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.814

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-3.83

Polar Surface Area

86.337

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

L862-0450 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L862-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L862-0450?
Check Price and Availability of L862-0450, 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 L862-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L862-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L862-0450
  • 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 L862-0450 available by request