D072-0117 Screening compound: 1-[4-(4-fluorobenzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine

D072-0117 Screening compound: 1-[4-(4-fluorobenzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine
D072-0117 Screening compound: 1-[4-(4-fluorobenzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0117
1-[4-(4-fluorobenzenesulfonyl)-2-(2-methylphenyl)-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

D072-0117

Molecular Formula

C21H21FN2O3S (C21 H21 FN2 O3 S)

Compound Name

1-[4-(4-fluorobenzenesulfonyl)-2-(2-methylphenyl)-1,3-oxazol-5-yl]piperidine

IUPAC name

1-[4-(4-fluorobenzenesulfonyl)-2-(2-methylphenyl)-13-oxazol-5-yl]piperidine

SMILES

Cc(cccc1)c1-c1nc(S(c(cc2)ccc2F)(=O)=O)c(N2CCCCC2)o1

InChI

InChI=1S/C21H21FN2O3S/c1-15-7-3-4-8-18(15)19-23-20(21(27-19)24-13-5-2-6-14-24)28(25,26)17-11-9-16(22)10-12-17/h3-4,7-12H,2,5-6,13-14H2,1H3

InChI Key

LYAFCIDLDJYVBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04523278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.47

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

4.886

Distribution Coefficient, logD

4.886

Water Solubility, LogSw

-4.60

Polar Surface Area

51.479

Acid Dissociation Constant (pKa)

26.84

Base Dissociation Constant (pKb)

-5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D072-0117 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D072-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0117?
Check Price and Availability of D072-0117, 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 D072-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0117
  • 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 D072-0117 available by request