L858-0493 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

L858-0493 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
L858-0493 Screening compound: N~1~-(5-chloro-2,4-dimethoxyphenyl)-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 L858-0493
N~1~-(5-chloro-2,4-dimethoxyphenyl)-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

L858-0493

Molecular Formula

C22H21ClN4O4S (C22 H21 ClN4 O4 S)

Compound Name

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

IUPAC name

N-(5-chloro-24-dimethoxyphenyl)-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

Cc1cc(C)nc2c1c(N=C(C)N(CC(Nc(c(OC)c1)cc(Cl)c1OC)=O)C1=O)c1s2

InChI

InChI=1S/C22H21ClN4O4S/c1-10-6-11(2)24-21-18(10)19-20(32-21)22(29)27(12(3)25-19)9-17(28)26-14-7-13(23)15(30-4)8-16(14)31-5/h6-8H,9H2,1-5H3,(H,26,28)

InChI Key

JMESVTXUCRCBBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.756

Distribution Coefficient, logD

3.748

Water Solubility, LogSw

-4.04

Polar Surface Area

69.373

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L858-0493 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L858-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-0493?
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What is the minimum amount of L858-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-0493
  • 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 L858-0493 available by request