D072-0127 Screening compound: 4-(4-methylbenzenesulfonyl)-2-phenyl-5-(pyrrolidin-1-yl)-1,3-oxazole

D072-0127 Screening compound: 4-(4-methylbenzenesulfonyl)-2-phenyl-5-(pyrrolidin-1-yl)-1,3-oxazole
D072-0127 Screening compound: 4-(4-methylbenzenesulfonyl)-2-phenyl-5-(pyrrolidin-1-yl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0127
4-(4-methylbenzenesulfonyl)-2-phenyl-5-(pyrrolidin-1-yl)-1,3-oxazole

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

D072-0127

Molecular Formula

C20H20N2O3S (C20 H20 N2 O3 S)

Compound Name

4-(4-methylbenzenesulfonyl)-2-phenyl-5-(pyrrolidin-1-yl)-1,3-oxazole

IUPAC name

4-(4-methylbenzenesulfonyl)-2-phenyl-5-(pyrrolidin-1-yl)-13-oxazole

SMILES

Cc(cc1)ccc1S(c1c(N2CCCC2)oc(-c2ccccc2)n1)(=O)=O

InChI

InChI=1S/C20H20N2O3S/c1-15-9-11-17(12-10-15)26(23,24)19-20(22-13-5-6-14-22)25-18(21-19)16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-14H2,1H3

InChI Key

YUOOMGBDSHXYSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02714148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.46

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

4.656

Distribution Coefficient, logD

4.656

Water Solubility, LogSw

-4.35

Polar Surface Area

51.845

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

-7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D072-0127 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 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

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D072-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0127?
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What is the minimum amount of D072-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0127
  • 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 D072-0127 available by request