6331-2930 Screening compound: 2-(pyridin-4-yl)-5-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]methyl}-1,3-benzoxazole

6331-2930 Screening compound: 2-(pyridin-4-yl)-5-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]methyl}-1,3-benzoxazole
6331-2930 Screening compound: 2-(pyridin-4-yl)-5-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]methyl}-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6331-2930
2-(pyridin-4-yl)-5-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]methyl}-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

6331-2930

Molecular Formula

C25H16N4O2 (C25 H16 N4 O2)

Compound Name

2-(pyridin-4-yl)-5-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]methyl}-1,3-benzoxazole

IUPAC name

2-(pyridin-4-yl)-5-{[2-(pyridin-4-yl)-13-benzoxazol-5-yl]methyl}-13-benzoxazole

SMILES

C(c(cc1)cc2c1oc(-c1ccncc1)n2)c(cc1)cc2c1oc(-c1ccncc1)n2

InChI

InChI=1S/C25H16N4O2/c1-3-22-20(28-24(30-22)18-5-9-26-10-6-18)14-16(1)13-17-2-4-23-21(15-17)29-25(31-23)19-7-11-27-12-8-19/h1-12,14-15H,13H2

InChI Key

GFGKQCBDMAMZDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03779903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.104

Distribution Coefficient, logD

4.103

Water Solubility, LogSw

-4.29

Polar Surface Area

52.444

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

6331-2930 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6331-2930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6331-2930?
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What is the minimum amount of 6331-2930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6331-2930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6331-2930
  • 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 6331-2930 available by request