G373-4062 Screening compound: 2-{[4-(2-ethylbenzenesulfonyl)piperazin-1-yl]methyl}-5-phenyl-1,3-benzoxazole

G373-4062 Screening compound: 2-{[4-(2-ethylbenzenesulfonyl)piperazin-1-yl]methyl}-5-phenyl-1,3-benzoxazole
G373-4062 Screening compound: 2-{[4-(2-ethylbenzenesulfonyl)piperazin-1-yl]methyl}-5-phenyl-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound G373-4062
2-{[4-(2-ethylbenzenesulfonyl)piperazin-1-yl]methyl}-5-phenyl-1,3-benzoxazole

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

G373-4062

Molecular Formula

C26H27N3O3S (C26 H27 N3 O3 S)

Compound Name

2-{[4-(2-ethylbenzenesulfonyl)piperazin-1-yl]methyl}-5-phenyl-1,3-benzoxazole

IUPAC name

2-{[4-(2-ethylbenzenesulfonyl)piperazin-1-yl]methyl}-5-phenyl-13-benzoxazole

SMILES

CCc(cccc1)c1S(N1CCN(Cc2nc(cc(cc3)-c4ccccc4)c3o2)CC1)(=O)=O

InChI

InChI=1S/C26H27N3O3S/c1-2-20-8-6-7-11-25(20)33(30,31)29-16-14-28(15-17-29)19-26-27-23-18-22(12-13-24(23)32-26)21-9-4-3-5-10-21/h3-13,18H,2,14-17,19H2,1H3

InChI Key

CTCMBVCFLOOCDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27138203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.085

Distribution Coefficient, logD

5.085

Water Solubility, LogSw

-5.05

Polar Surface Area

51.966

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

G373-4062 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G373-4062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G373-4062?
Check Price and Availability of G373-4062, 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 G373-4062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G373-4062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G373-4062
  • 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 G373-4062 available by request