L858-5203 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[7-(3,4-dimethylphenyl)-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

L858-5203 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[7-(3,4-dimethylphenyl)-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
L858-5203 Screening compound: N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[7-(3,4-dimethylphenyl)-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L858-5203
N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[7-(3,4-dimethylphenyl)-4-oxopyrido[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

L858-5203

Molecular Formula

C27H22N4O4S (C27 H22 N4 O4 S)

Compound Name

N~1~-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[7-(3,4-dimethylphenyl)-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[11-(34-dimethylphenyl)-6-oxo-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl]acetamide

SMILES

Cc(cc1)c(C)cc1-c1ccc(c(N=CN(CC(Nc(cc2)cc3c2OCCO3)=O)C2=O)c2s2)c2n1

InChI

InChI=1S/C27H22N4O4S/c1-15-3-4-17(11-16(15)2)20-7-6-19-24-25(36-26(19)30-20)27(33)31(14-28-24)13-23(32)29-18-5-8-21-22(12-18)35-10-9-34-21/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,29,32)

InChI Key

UZJUEJPUODREPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.56

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

4.497

Distribution Coefficient, logD

4.495

Water Solubility, LogSw

-4.45

Polar Surface Area

72.508

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

L858-5203 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L858-5203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-5203?
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What is the minimum amount of L858-5203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-5203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-5203
  • 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 L858-5203 available by request