D072-0212 Screening compound: 4-[4-(4-fluorobenzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine

D072-0212 Screening compound: 4-[4-(4-fluorobenzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine
D072-0212 Screening compound: 4-[4-(4-fluorobenzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0212
4-[4-(4-fluorobenzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine

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

D072-0212

Molecular Formula

C21H21FN2O4S (C21 H21 FN2 O4 S)

Compound Name

4-[4-(4-fluorobenzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine

IUPAC name

4-[4-(4-fluorobenzenesulfonyl)-2-phenyl-13-oxazol-5-yl]-26-dimethylmorpholine

SMILES

CC(C1)OC(C)CN1c(oc(-c1ccccc1)n1)c1S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C21H21FN2O4S/c1-14-12-24(13-15(2)27-14)21-20(23-19(28-21)16-6-4-3-5-7-16)29(25,26)18-10-8-17(22)9-11-18/h3-11,14-15H,12-13H2,1-2H3

InChI Key

JBBBVBVLQXEVJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04528730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.825

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-3.94

Polar Surface Area

58.411

Acid Dissociation Constant (pKa)

26.22

Base Dissociation Constant (pKb)

-7.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

D072-0212 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 D072-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0212?
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What is the minimum amount of D072-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0212
  • 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 D072-0212 available by request