L461-0502 Screening compound: N-[(2-ethoxyphenyl)methyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butanamide

L461-0502 Screening compound: N-[(2-ethoxyphenyl)methyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butanamide
L461-0502 Screening compound: N-[(2-ethoxyphenyl)methyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L461-0502
N-[(2-ethoxyphenyl)methyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butanamide

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

L461-0502

Molecular Formula

C24H29N5O3S (C24 H29 N5 O3 S)

Compound Name

N-[(2-ethoxyphenyl)methyl]-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butanamide

IUPAC name

N-[(2-ethoxyphenyl)methyl]-4-oxo-4-(4-{[13]thiazolo[54-b]pyridin-2-yl}-14-diazepan-1-yl)butanamide

SMILES

CCOc1c(CNC(CCC(N(CCC2)CCN2c2nc3cccnc3s2)=O)=O)cccc1

InChI

InChI=1S/C24H29N5O3S/c1-2-32-20-9-4-3-7-18(20)17-26-21(30)10-11-22(31)28-13-6-14-29(16-15-28)24-27-19-8-5-12-25-23(19)33-24/h3-5,7-9,12H,2,6,10-11,13-17H2,1H3,(H,26,30)

InChI Key

MLMQBMWKJNMUHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.776

Distribution Coefficient, logD

2.772

Water Solubility, LogSw

-3.05

Polar Surface Area

70.574

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

L461-0502 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L461-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L461-0502?
Check Price and Availability of L461-0502, 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 L461-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L461-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L461-0502
  • 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 L461-0502 available by request