D072-0187 Screening compound: 4-methyl-1-[4-(4-methylbenzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine

D072-0187 Screening compound: 4-methyl-1-[4-(4-methylbenzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine
D072-0187 Screening compound: 4-methyl-1-[4-(4-methylbenzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0187
4-methyl-1-[4-(4-methylbenzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]piperidine

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

D072-0187

Molecular Formula

C22H24N2O3S (C22 H24 N2 O3 S)

Compound Name

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

IUPAC name

4-methyl-1-[4-(4-methylbenzenesulfonyl)-2-phenyl-13-oxazol-5-yl]piperidine

SMILES

CC(CC1)CCN1c(oc(-c1ccccc1)n1)c1S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C22H24N2O3S/c1-16-8-10-19(11-9-16)28(25,26)21-22(24-14-12-17(2)13-15-24)27-20(23-21)18-6-4-3-5-7-18/h3-11,17H,12-15H2,1-2H3

InChI Key

ZAUYFSHFXLSZFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04578704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.279

Distribution Coefficient, logD

5.279

Water Solubility, LogSw

-5.32

Polar Surface Area

51.479

Acid Dissociation Constant (pKa)

25.92

Base Dissociation Constant (pKb)

-5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D072-0187 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D072-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0187?
Check Price and Availability of D072-0187, 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 D072-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0187
  • 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 D072-0187 available by request