L529-0347 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4'-fluoro-[1,1'-biphenyl]-4-sulfonamido}-3-methylbutanamide

L529-0347 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4'-fluoro-[1,1'-biphenyl]-4-sulfonamido}-3-methylbutanamide
L529-0347 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4'-fluoro-[1,1'-biphenyl]-4-sulfonamido}-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L529-0347
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4'-fluoro-[1,1'-biphenyl]-4-sulfonamido}-3-methylbutanamide

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

L529-0347

Molecular Formula

C25H25FN2O5S (C25 H25 FN2 O5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4'-fluoro-[1,1'-biphenyl]-4-sulfonamido}-3-methylbutanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{4'-fluoro-[11'-biphenyl]-4-sulfonamido}-3-methylbutanamide

SMILES

CC(C)C(C(NCc(cc1)cc2c1OCO2)=O)NS(c(cc1)ccc1-c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C25H25FN2O5S/c1-16(2)24(25(29)27-14-17-3-12-22-23(13-17)33-15-32-22)28-34(30,31)21-10-6-19(7-11-21)18-4-8-20(26)9-5-18/h3-13,16,24,28H,14-15H2,1-2H3,(H,27,29)/t24-/m0/s1

InChI Key

ZAPMLWCKMGLDGR-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD15129806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.665

Distribution Coefficient, logD

4.665

Water Solubility, LogSw

-4.52

Polar Surface Area

83.091

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

L529-0347 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L529-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L529-0347?
Check Price and Availability of L529-0347, 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 L529-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L529-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L529-0347
  • 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 L529-0347 available by request