L858-6046 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[4-oxo-7-(2-thienyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

L858-6046 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[4-oxo-7-(2-thienyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
L858-6046 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-[4-oxo-7-(2-thienyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L858-6046
N~1~-(1,3-benzodioxol-5-yl)-2-[4-oxo-7-(2-thienyl)pyrido[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

L858-6046

Molecular Formula

C22H14N4O4S2 (C22 H14 N4 O4 S2)

Compound Name

N~1~-(1,3-benzodioxol-5-yl)-2-[4-oxo-7-(2-thienyl)pyrido[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-(thiophen-2-yl)-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(-c4cccs4)ccc13)C2=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H14N4O4S2/c27-18(24-12-3-6-15-16(8-12)30-11-29-15)9-26-10-23-19-13-4-5-14(17-2-1-7-31-17)25-21(13)32-20(19)22(26)28/h1-8,10H,9,11H2,(H,24,27)

InChI Key

FSLTUGHMADOYGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.51

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

4.147

Distribution Coefficient, logD

4.147

Water Solubility, LogSw

-4.48

Polar Surface Area

74.819

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

L858-6046 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L858-6046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-6046?
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What is the minimum amount of L858-6046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-6046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-6046
  • 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 L858-6046 available by request