L858-3330 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[2-ethyl-4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

L858-3330 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[2-ethyl-4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
L858-3330 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[2-ethyl-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 L858-3330
N~1~-(1,3-benzodioxol-5-yl)-2-[2-ethyl-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

L858-3330

Molecular Formula

C26H20N4O4S (C26 H20 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(CC(Nc(cc1)cc2c1OCO2)=O)C1=O)=Nc2c1sc1nc(-c3ccccc3)ccc12

InChI

InChI=1S/C26H20N4O4S/c1-2-21-29-23-17-9-10-18(15-6-4-3-5-7-15)28-25(17)35-24(23)26(32)30(21)13-22(31)27-16-8-11-19-20(12-16)34-14-33-19/h3-12H,2,13-14H2,1H3,(H,27,31)

InChI Key

OWZMTDZNFZSUIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.127

Distribution Coefficient, logD

5.126

Water Solubility, LogSw

-5.12

Polar Surface Area

72.939

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

L858-3330 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with L858-3330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-3330?
Check Price and Availability of L858-3330, 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 L858-3330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-3330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-3330
  • 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 L858-3330 available by request