L858-1458 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

L858-1458 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
L858-1458 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[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 L858-1458
N~1~-(1,3-benzodioxol-5-yl)-2-[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

L858-1458

Molecular Formula

C24H16N4O4S (C24 H16 N4 O4 S)

Compound Name

N~1~-(1,3-benzodioxol-5-yl)-2-[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-{6-oxo-11-phenyl-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl}acetamide

SMILES

O=C(CN(C=Nc1c2sc3nc(-c4ccccc4)ccc13)C2=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C24H16N4O4S/c29-20(26-15-6-9-18-19(10-15)32-13-31-18)11-28-12-25-21-16-7-8-17(14-4-2-1-3-5-14)27-23(16)33-22(21)24(28)30/h1-10,12H,11,13H2,(H,26,29)

InChI Key

YJUUXACMWLQXFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.390

Distribution Coefficient, logD

4.390

Water Solubility, LogSw

-4.57

Polar Surface Area

73.801

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

L858-1458 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L858-1458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-1458?
Check Price and Availability of L858-1458, 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 L858-1458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-1458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-1458
  • 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 L858-1458 available by request