L862-0023 Screening compound: ethyl 3-{2-[6-ethyl-5,7-dioxo-2-(pyrrolidin-1-yl)-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamido}benzoate

L862-0023 Screening compound: ethyl 3-{2-[6-ethyl-5,7-dioxo-2-(pyrrolidin-1-yl)-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamido}benzoate
L862-0023 Screening compound: ethyl 3-{2-[6-ethyl-5,7-dioxo-2-(pyrrolidin-1-yl)-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L862-0023
ethyl 3-{2-[6-ethyl-5,7-dioxo-2-(pyrrolidin-1-yl)-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamido}benzoate

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

L862-0023

Molecular Formula

C22H25N5O5S (C22 H25 N5 O5 S)

Compound Name

ethyl 3-{2-[6-ethyl-5,7-dioxo-2-(pyrrolidin-1-yl)-4H,5H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamido}benzoate

IUPAC name

ethyl 3-{2-[6-ethyl-57-dioxo-2-(pyrrolidin-1-yl)-4H5H6H7H-[13]thiazolo[45-d]pyrimidin-4-yl]acetamido}benzoate

SMILES

CCN(C(c1c(N2CC(Nc3cc(C(OCC)=O)ccc3)=O)nc(N3CCCC3)s1)=O)C2=O

InChI

InChI=1S/C22H25N5O5S/c1-3-26-19(29)17-18(24-21(33-17)25-10-5-6-11-25)27(22(26)31)13-16(28)23-15-9-7-8-14(12-15)20(30)32-4-2/h7-9,12H,3-6,10-11,13H2,1-2H3,(H,23,28)

InChI Key

ZKWNHJYIWALIMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.304

Distribution Coefficient, logD

4.304

Water Solubility, LogSw

-4.14

Polar Surface Area

90.088

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

L862-0023 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L862-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L862-0023?
Check Price and Availability of L862-0023, 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 L862-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L862-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L862-0023
  • 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 L862-0023 available by request