D072-0563 Screening compound: 4-(benzenesulfonyl)-2-phenyl-N-[(pyridin-3-yl)methyl]-1,3-oxazol-5-amine

D072-0563 Screening compound: 4-(benzenesulfonyl)-2-phenyl-N-[(pyridin-3-yl)methyl]-1,3-oxazol-5-amine
D072-0563 Screening compound: 4-(benzenesulfonyl)-2-phenyl-N-[(pyridin-3-yl)methyl]-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0563
4-(benzenesulfonyl)-2-phenyl-N-[(pyridin-3-yl)methyl]-1,3-oxazol-5-amine

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

D072-0563

Molecular Formula

C21H17N3O3S (C21 H17 N3 O3 S)

Compound Name

4-(benzenesulfonyl)-2-phenyl-N-[(pyridin-3-yl)methyl]-1,3-oxazol-5-amine

IUPAC name

4-(benzenesulfonyl)-2-phenyl-N-[(pyridin-3-yl)methyl]-13-oxazol-5-amine

SMILES

O=S(c1c(NCc2cnccc2)oc(-c2ccccc2)n1)(c1ccccc1)=O

InChI

InChI=1S/C21H17N3O3S/c25-28(26,18-11-5-2-6-12-18)21-20(23-15-16-8-7-13-22-14-16)27-19(24-21)17-9-3-1-4-10-17/h1-14,23H,15H2

InChI Key

OEJAHZUNEPRVCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03477654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.121

Distribution Coefficient, logD

3.106

Water Solubility, LogSw

-3.13

Polar Surface Area

67.520

Acid Dissociation Constant (pKa)

17.68

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

D072-0563 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with D072-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0563?
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What is the minimum amount of D072-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0563
  • 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 D072-0563 available by request