D072-0562 Screening compound: 4-(4-methylbenzenesulfonyl)-2-phenyl-N-[(pyridin-3-yl)methyl]-1,3-oxazol-5-amine

D072-0562 Screening compound: 4-(4-methylbenzenesulfonyl)-2-phenyl-N-[(pyridin-3-yl)methyl]-1,3-oxazol-5-amine
D072-0562 Screening compound: 4-(4-methylbenzenesulfonyl)-2-phenyl-N-[(pyridin-3-yl)methyl]-1,3-oxazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0562
4-(4-methylbenzenesulfonyl)-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

D072-0562

Molecular Formula

C22H19N3O3S (C22 H19 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(c1c(NCc2cnccc2)oc(-c2ccccc2)n1)(=O)=O

InChI

InChI=1S/C22H19N3O3S/c1-16-9-11-19(12-10-16)29(26,27)22-21(24-15-17-6-5-13-23-14-17)28-20(25-22)18-7-3-2-4-8-18/h2-14,24H,15H2,1H3

InChI Key

FNGNZUQLELCHKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03477841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

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

3.729

Distribution Coefficient, logD

3.715

Water Solubility, LogSw

-3.65

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

9.10

D072-0562 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D072-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0562?
Check Price and Availability of D072-0562, 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 D072-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0562
  • 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 D072-0562 available by request