L461-0386 Screening compound: N-(3-fluorophenyl)-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butanamide

L461-0386 Screening compound: N-(3-fluorophenyl)-4-oxo-4-(4-{[1,3]thiazolo[5,4-b]pyridin-2-yl}-1,4-diazepan-1-yl)butanamide
L461-0386 Screening compound: N-(3-fluorophenyl)-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 L461-0386
N-(3-fluorophenyl)-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

L461-0386

Molecular Formula

C21H22FN5O2S (C21 H22 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC(N(CCC1)CCN1c1nc2cccnc2s1)=O)Nc1cc(F)ccc1

InChI

InChI=1S/C21H22FN5O2S/c22-15-4-1-5-16(14-15)24-18(28)7-8-19(29)26-10-3-11-27(13-12-26)21-25-17-6-2-9-23-20(17)30-21/h1-2,4-6,9,14H,3,7-8,10-13H2,(H,24,28)

InChI Key

QWTBCZJIVZXMDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.619

Distribution Coefficient, logD

2.615

Water Solubility, LogSw

-3.10

Polar Surface Area

62.041

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L461-0386 in Drug Discovery

Included in Screening Libraries

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 L461-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L461-0386?
Check Price and Availability of L461-0386, 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 L461-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L461-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L461-0386
  • 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 L461-0386 available by request