L858-0477 Screening compound: N~1~-[4-(diethylamino)-2-methylphenyl]-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

L858-0477 Screening compound: N~1~-[4-(diethylamino)-2-methylphenyl]-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
L858-0477 Screening compound: N~1~-[4-(diethylamino)-2-methylphenyl]-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L858-0477
N~1~-[4-(diethylamino)-2-methylphenyl]-2-[2,7,9-trimethyl-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

L858-0477

Molecular Formula

C25H29N5O2S (C25 H29 N5 O2 S)

Compound Name

N~1~-[4-(diethylamino)-2-methylphenyl]-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

IUPAC name

N-[4-(diethylamino)-2-methylphenyl]-2-{41113-trimethyl-6-oxo-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl}acetamide

SMILES

CCN(CC)c(cc1)cc(C)c1NC(CN(C(C)=Nc1c2sc3nc(C)cc(C)c13)C2=O)=O

InChI

InChI=1S/C25H29N5O2S/c1-7-29(8-2)18-9-10-19(14(3)12-18)28-20(31)13-30-17(6)27-22-21-15(4)11-16(5)26-24(21)33-23(22)25(30)32/h9-12H,7-8,13H2,1-6H3,(H,28,31)

InChI Key

PMSCJDHYRZYVEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27480994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.235

Distribution Coefficient, logD

4.026

Water Solubility, LogSw

-4.41

Polar Surface Area

56.848

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

L858-0477 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with L858-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-0477?
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What is the minimum amount of L858-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-0477
  • 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 L858-0477 available by request