L858-0196 Screening compound: N~1~-(3-chloro-4-methylphenyl)-2-[2-ethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

L858-0196 Screening compound: N~1~-(3-chloro-4-methylphenyl)-2-[2-ethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
L858-0196 Screening compound: N~1~-(3-chloro-4-methylphenyl)-2-[2-ethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L858-0196
N~1~-(3-chloro-4-methylphenyl)-2-[2-ethyl-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

L858-0196

Molecular Formula

C20H17ClN4O2S (C20 H17 ClN4 O2 S)

Compound Name

N~1~-(3-chloro-4-methylphenyl)-2-[2-ethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

IUPAC name

N-(3-chloro-4-methylphenyl)-2-{4-ethyl-6-oxo-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl}acetamide

SMILES

CCC(N(CC(Nc1cc(Cl)c(C)cc1)=O)C1=O)=Nc2c1sc1c2cccn1

InChI

InChI=1S/C20H17ClN4O2S/c1-3-15-24-17-13-5-4-8-22-19(13)28-18(17)20(27)25(15)10-16(26)23-12-7-6-11(2)14(21)9-12/h4-9H,3,10H2,1-2H3,(H,23,26)

InChI Key

FHYBWNCONQZDCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27480941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.373

Distribution Coefficient, logD

4.373

Water Solubility, LogSw

-4.46

Polar Surface Area

56.527

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with L858-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-0196?
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What is the minimum amount of L858-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-0196
  • 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 L858-0196 available by request