L461-0466 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-4-oxo-4-(4-[1,3]thiazolo[5,4-b]pyridin-2-yl-1,4-diazepan-1-yl)butanamide

L461-0466 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-4-oxo-4-(4-[1,3]thiazolo[5,4-b]pyridin-2-yl-1,4-diazepan-1-yl)butanamide
L461-0466 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-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 L461-0466
N~1~-(3-chloro-4-methoxyphenyl)-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

L461-0466

Molecular Formula

C22H24ClN5O3S (C22 H24 ClN5 O3 S)

Compound Name

N~1~-(3-chloro-4-methoxyphenyl)-4-oxo-4-(4-[1,3]thiazolo[5,4-b]pyridin-2-yl-1,4-diazepan-1-yl)butanamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-4-oxo-4-(4-{[13]thiazolo[54-b]pyridin-2-yl}-14-diazepan-1-yl)butanamide

SMILES

COc(ccc(NC(CCC(N(CCC1)CCN1c1nc(cccn2)c2s1)=O)=O)c1)c1Cl

InChI

InChI=1S/C22H24ClN5O3S/c1-31-18-6-5-15(14-16(18)23)25-19(29)7-8-20(30)27-10-3-11-28(13-12-27)22-26-17-4-2-9-24-21(17)32-22/h2,4-6,9,14H,3,7-8,10-13H2,1H3,(H,25,29)

InChI Key

QOUWKMWHYBADRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.977

Distribution Coefficient, logD

2.972

Water Solubility, LogSw

-3.47

Polar Surface Area

69.672

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

L461-0466 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L461-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L461-0466?
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What is the minimum amount of L461-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L461-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L461-0466
  • 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 L461-0466 available by request