L858-1454 Screening compound: methyl 4-({2-[4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate

L858-1454 Screening compound: methyl 4-({2-[4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate
L858-1454 Screening compound: methyl 4-({2-[4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L858-1454
methyl 4-({2-[4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate

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

L858-1454

Molecular Formula

C25H18N4O4S (C25 H18 N4 O4 S)

Compound Name

methyl 4-({2-[4-oxo-7-phenylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl]acetyl}amino)benzoate

IUPAC name

methyl 4-(2-{6-oxo-11-phenyl-8-thia-3510-triazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl}acetamido)benzoate

SMILES

COC(c(cc1)ccc1NC(CN(C=Nc1c2sc3nc(-c4ccccc4)ccc13)C2=O)=O)=O

InChI

InChI=1S/C25H18N4O4S/c1-33-25(32)16-7-9-17(10-8-16)27-20(30)13-29-14-26-21-18-11-12-19(15-5-3-2-4-6-15)28-23(18)34-22(21)24(29)31/h2-12,14H,13H2,1H3,(H,27,30)

InChI Key

POLINFQGDVWARB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27481052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.648

Distribution Coefficient, logD

4.648

Water Solubility, LogSw

-4.53

Polar Surface Area

77.859

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

L858-1454 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L858-1454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L858-1454?
Check Price and Availability of L858-1454, 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 L858-1454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L858-1454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L858-1454
  • 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 L858-1454 available by request