D072-0208 Screening compound: 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine

D072-0208 Screening compound: 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine
D072-0208 Screening compound: 4-[4-(benzenesulfonyl)-2-phenyl-1,3-oxazol-5-yl]-2,6-dimethylmorpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0208
4-[4-(benzenesulfonyl)-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

D072-0208

Molecular Formula

C21H22N2O4S (C21 H22 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-15-13-23(14-16(2)26-15)21-20(28(24,25)18-11-7-4-8-12-18)22-19(27-21)17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3

InChI Key

XAVAWHREIADHOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04600479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

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

3.611

Distribution Coefficient, logD

3.611

Water Solubility, LogSw

-3.71

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

D072-0208 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D072-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0208?
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What is the minimum amount of D072-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0208
  • 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 D072-0208 available by request