G529-0357 Screening compound: N-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

G529-0357 Screening compound: N-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
G529-0357 Screening compound: N-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G529-0357
N-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

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

G529-0357

Molecular Formula

C19H16FN3O4S (C19 H16 FN3 O4 S)

Compound Name

N-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

IUPAC name

N-({1-[(2-fluorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

O=C1Oc(cc(cc2)S(NCc3cccn3Cc(cccc3)c3F)(=O)=O)c2N1

InChI

InChI=1S/C19H16FN3O4S/c20-16-6-2-1-4-13(16)12-23-9-3-5-14(23)11-21-28(25,26)15-7-8-17-18(10-15)27-19(24)22-17/h1-10,21H,11-12H2,(H,22,24)

InChI Key

NPSUPJDWFIPFNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.212

Distribution Coefficient, logD

3.178

Water Solubility, LogSw

-3.61

Polar Surface Area

77.485

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

G529-0357 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G529-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G529-0357?
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What is the minimum amount of G529-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G529-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G529-0357
  • 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 G529-0357 available by request