L858-3233 Screening compound: N~1~-(2-chlorobenzyl)-2-[2-methyl-4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

L858-3233 Screening compound: N~1~-(2-chlorobenzyl)-2-[2-methyl-4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
L858-3233 Screening compound: N~1~-(2-chlorobenzyl)-2-[2-methyl-4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L858-3233
N~1~-(2-chlorobenzyl)-2-[2-methyl-4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-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

L858-3233

Molecular Formula

C25H19ClN4O2S (C25 H19 ClN4 O2 S)

Compound Name

N~1~-(2-chlorobenzyl)-2-[2-methyl-4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-{4-methyl-6-oxo-11-phenyl-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl}acetamide

SMILES

CC(N(CC(NCc(cccc1)c1Cl)=O)C1=O)=Nc2c1sc1c2ccc(-c2ccccc2)n1

InChI

InChI=1S/C25H19ClN4O2S/c1-15-28-22-18-11-12-20(16-7-3-2-4-8-16)29-24(18)33-23(22)25(32)30(15)14-21(31)27-13-17-9-5-6-10-19(17)26/h2-12H,13-14H2,1H3,(H,27,31)

InChI Key

OVXLXJIPRQUOLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.317

Distribution Coefficient, logD

5.317

Water Solubility, LogSw

-5.89

Polar Surface Area

56.054

Acid Dissociation Constant (pKa)

13.22

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

L858-3233 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L858-3233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-3233?
Check Price and Availability of L858-3233, 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 L858-3233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-3233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-3233
  • 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 L858-3233 available by request