G529-0073 Screening compound: N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide

G529-0073 Screening compound: N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
G529-0073 Screening compound: N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G529-0073
N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-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

G529-0073

Molecular Formula

C20H19N3O4S (C20 H19 N3 O4 S)

Compound Name

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

IUPAC name

N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-3-methyl-2-oxo-23-dihydro-13-benzoxazole-6-sulfonamide

SMILES

CN(c(ccc(S(NCc1cccn1Cc1ccccc1)(=O)=O)c1)c1O1)C1=O

InChI

InChI=1S/C20H19N3O4S/c1-22-18-10-9-17(12-19(18)27-20(22)24)28(25,26)21-13-16-8-5-11-23(16)14-15-6-3-2-4-7-15/h2-12,21H,13-14H2,1H3

InChI Key

NZXYKBQHHCDZEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27142425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

2.904

Water Solubility, LogSw

-3.67

Polar Surface Area

66.933

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-4.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G529-0073 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 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:
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G529-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G529-0073?
Check Price and Availability of G529-0073, 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 G529-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G529-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G529-0073
  • 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 G529-0073 available by request