L858-0509 Screening compound: N~1~-(4-chlorophenethyl)-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide

L858-0509 Screening compound: N~1~-(4-chlorophenethyl)-2-[2,7,9-trimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetamide
L858-0509 Screening compound: N~1~-(4-chlorophenethyl)-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 L858-0509
N~1~-(4-chlorophenethyl)-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

L858-0509

Molecular Formula

C22H21ClN4O2S (C22 H21 ClN4 O2 S)

Compound Name

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

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-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(NCCc(cc1)ccc1Cl)=O)C1=O)c1s2

InChI

InChI=1S/C22H21ClN4O2S/c1-12-10-13(2)25-21-18(12)19-20(30-21)22(29)27(14(3)26-19)11-17(28)24-9-8-15-4-6-16(23)7-5-15/h4-7,10H,8-9,11H2,1-3H3,(H,24,28)

InChI Key

RZTDAWZDDZJOGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.405

Distribution Coefficient, logD

3.405

Water Solubility, LogSw

-3.96

Polar Surface Area

55.973

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L858-0509 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L858-0509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-0509?
Check Price and Availability of L858-0509, 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 L858-0509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-0509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-0509
  • 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 L858-0509 available by request