L862-0816 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[2-(diethylamino)-5,7-dioxo-6-(prop-2-en-1-yl)-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide

L862-0816 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[2-(diethylamino)-5,7-dioxo-6-(prop-2-en-1-yl)-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
L862-0816 Screening compound: N-(3-chloro-4-fluorophenyl)-2-[2-(diethylamino)-5,7-dioxo-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 L862-0816
N-(3-chloro-4-fluorophenyl)-2-[2-(diethylamino)-5,7-dioxo-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

L862-0816

Molecular Formula

C20H21ClFN5O3S (C20 H21 ClFN5 O3 S)

Compound Name

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

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-[2-(diethylamino)-57-dioxo-6-(prop-2-en-1-yl)-4H5H6H7H-[13]thiazolo[45-d]pyrimidin-4-yl]acetamide

SMILES

CCN(CC)c1nc(N(CC(Nc(cc2)cc(Cl)c2F)=O)C(N(CC=C)C2=O)=O)c2s1

InChI

InChI=1S/C20H21ClFN5O3S/c1-4-9-26-18(29)16-17(24-19(31-16)25(5-2)6-3)27(20(26)30)11-15(28)23-12-7-8-14(22)13(21)10-12/h4,7-8,10H,1,5-6,9,11H2,2-3H3,(H,23,28)

InChI Key

PSHNYDBPCSAYNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.94

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

4.509

Distribution Coefficient, logD

4.502

Water Solubility, LogSw

-4.60

Polar Surface Area

68.506

Acid Dissociation Constant (pKa)

9.22

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with L862-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L862-0816?
Check Price and Availability of L862-0816, 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 L862-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L862-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L862-0816
  • 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 L862-0816 available by request