L461-0327 Screening compound: 1-methyl-5-[(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)sulfonyl]-2,3-dihydro-1H-indol-2-one

L461-0327 Screening compound: 1-methyl-5-[(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)sulfonyl]-2,3-dihydro-1H-indol-2-one
L461-0327 Screening compound: 1-methyl-5-[(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)sulfonyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L461-0327
1-methyl-5-[(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)sulfonyl]-2,3-dihydro-1H-indol-2-one

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

L461-0327

Molecular Formula

C20H21N5O3S2 (C20 H21 N5 O3 S2)

Compound Name

1-methyl-5-[(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)sulfonyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

1-methyl-5-[(4-{[13]thiazolo[54-b]pyridin-2-yl}-14-diazepan-1-yl)sulfonyl]-23-dihydro-1H-indol-2-one

SMILES

CN(C(C1)=O)c(cc2)c1cc2S(N(CCC1)CCN1c1nc(cccn2)c2s1)(=O)=O

InChI

InChI=1S/C20H21N5O3S2/c1-23-17-6-5-15(12-14(17)13-18(23)26)30(27,28)25-9-3-8-24(10-11-25)20-22-16-4-2-7-21-19(16)29-20/h2,4-7,12H,3,8-11,13H2,1H3

InChI Key

YBUVOLZMTXIXFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.401

Distribution Coefficient, logD

2.401

Water Solubility, LogSw

-2.84

Polar Surface Area

70.266

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

L461-0327 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L461-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L461-0327?
Check Price and Availability of L461-0327, 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 L461-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L461-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L461-0327
  • 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 L461-0327 available by request