2165-1012 Screening compound: (4Z)-4-[(2-chlorophenyl)methylidene]-2-[4-(decyloxy)phenyl]-4,5-dihydro-1,3-oxazol-5-one

2165-1012 Screening compound: (4Z)-4-[(2-chlorophenyl)methylidene]-2-[4-(decyloxy)phenyl]-4,5-dihydro-1,3-oxazol-5-one
2165-1012 Screening compound: (4Z)-4-[(2-chlorophenyl)methylidene]-2-[4-(decyloxy)phenyl]-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2165-1012
(4Z)-4-[(2-chlorophenyl)methylidene]-2-[4-(decyloxy)phenyl]-4,5-dihydro-1,3-oxazol-5-one

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

2165-1012

Molecular Formula

C26H30ClNO3 (C26 H30 ClNO3)

Compound Name

(4Z)-4-[(2-chlorophenyl)methylidene]-2-[4-(decyloxy)phenyl]-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-4-[(2-chlorophenyl)methylidene]-2-[4-(decyloxy)phenyl]-45-dihydro-13-oxazol-5-one

SMILES

CCCCCCCCCCOc(cc1)ccc1C(OC1=O)=N/C1=C\c(cccc1)c1Cl

InChI

InChI=1S/C26H30ClNO3/c1-2-3-4-5-6-7-8-11-18-30-22-16-14-20(15-17-22)25-28-24(26(29)31-25)19-21-12-9-10-13-23(21)27/h9-10,12-17,19H,2-8,11,18H2,1H3

InChI Key

SHIATAAJJMYXAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00330052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.301

Distribution Coefficient, logD

8.301

Water Solubility, LogSw

-6.50

Polar Surface Area

37.793

Acid Dissociation Constant (pKa)

27.86

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 2165-1012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2165-1012?
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What is the minimum amount of 2165-1012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2165-1012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2165-1012
  • 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 2165-1012 available by request