L461-0270 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepane

L461-0270 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepane
L461-0270 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound L461-0270
1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepane

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

L461-0270

Molecular Formula

C19H20N4O4S2 (C19 H20 N4 O4 S2)

Compound Name

1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepane

IUPAC name

1-(23-dihydro-14-benzodioxine-6-sulfonyl)-4-{[13]thiazolo[54-b]pyridin-2-yl}-14-diazepane

SMILES

O=S(c(cc1)cc2c1OCCO2)(N(CCC1)CCN1c1nc(cccn2)c2s1)=O

InChI

InChI=1S/C19H20N4O4S2/c24-29(25,14-4-5-16-17(13-14)27-12-11-26-16)23-8-2-7-22(9-10-23)19-21-15-3-1-6-20-18(15)28-19/h1,3-6,13H,2,7-12H2

InChI Key

NWVVTFBSNCRUCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

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

2.229

Distribution Coefficient, logD

2.229

Water Solubility, LogSw

-2.63

Polar Surface Area

70.305

Acid Dissociation Constant (pKa)

22.60

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

L461-0270 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)

New Agro Library (44492 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
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L461-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L461-0270?
Check Price and Availability of L461-0270, 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 L461-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L461-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L461-0270
  • 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 L461-0270 available by request