L858-1535 Screening compound: 3-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

L858-1535 Screening compound: 3-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
L858-1535 Screening compound: 3-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L858-1535
3-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

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

L858-1535

Molecular Formula

C26H20N4O3S (C26 H20 N4 O3 S)

Compound Name

3-[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

5-[2-(6-methyl-34-dihydro-2H-14-benzoxazin-4-yl)-2-oxoethyl]-11-phenyl-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-6-one

SMILES

Cc(cc1)cc2c1OCCN2C(CN(C=Nc1c2sc3nc(-c4ccccc4)ccc13)C2=O)=O

InChI

InChI=1S/C26H20N4O3S/c1-16-7-10-21-20(13-16)30(11-12-33-21)22(31)14-29-15-27-23-18-8-9-19(17-5-3-2-4-6-17)28-25(18)34-24(23)26(29)32/h2-10,13,15H,11-12,14H2,1H3

InChI Key

YVZQGLNKGSGPJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.445

Distribution Coefficient, logD

4.444

Water Solubility, LogSw

-4.51

Polar Surface Area

56.544

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

L858-1535 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

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

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L858-1535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-1535?
Check Price and Availability of L858-1535, 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 L858-1535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-1535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-1535
  • 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 L858-1535 available by request