1187-1081 Screening compound: ethyl [2-(4-chlorophenyl)-5-(piperidin-1-yl)-1,3-oxazol-4-yl](phenyl)phosphinate

1187-1081 Screening compound: ethyl [2-(4-chlorophenyl)-5-(piperidin-1-yl)-1,3-oxazol-4-yl](phenyl)phosphinate
1187-1081 Screening compound: ethyl [2-(4-chlorophenyl)-5-(piperidin-1-yl)-1,3-oxazol-4-yl](phenyl)phosphinate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-1081
ethyl [2-(4-chlorophenyl)-5-(piperidin-1-yl)-1,3-oxazol-4-yl](phenyl)phosphinate

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

1187-1081

Molecular Formula

C22H24ClN2O3P (C22 H24 ClN2 O3 P)

Compound Name

ethyl [2-(4-chlorophenyl)-5-(piperidin-1-yl)-1,3-oxazol-4-yl](phenyl)phosphinate

IUPAC name

ethyl [2-(4-chlorophenyl)-5-(piperidin-1-yl)-13-oxazol-4-yl](phenyl)phosphinate

SMILES

CCOP(c1c(N2CCCCC2)oc(-c(cc2)ccc2Cl)n1)(c1ccccc1)=O

InChI

InChI=1S/C22H24ClN2O3P/c1-2-27-29(26,19-9-5-3-6-10-19)21-22(25-15-7-4-8-16-25)28-20(24-21)17-11-13-18(23)14-12-17/h3,5-6,9-14H,2,4,7-8,15-16H2,1H3/t29-/m0/s1

InChI Key

VZRXKCPIZBAUBA-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD00522099

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.424

Distribution Coefficient, logD

5.424

Water Solubility, LogSw

-5.98

Polar Surface Area

43.660

Acid Dissociation Constant (pKa)

25.86

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

1187-1081 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1187-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-1081?
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What is the minimum amount of 1187-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-1081
  • 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 1187-1081 available by request