2165-1045 Screening compound: 4-{[(4Z)-2-[4-(decyloxy)phenyl]-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

2165-1045 Screening compound: 4-{[(4Z)-2-[4-(decyloxy)phenyl]-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate
2165-1045 Screening compound: 4-{[(4Z)-2-[4-(decyloxy)phenyl]-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2165-1045
4-{[(4Z)-2-[4-(decyloxy)phenyl]-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

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

2165-1045

Molecular Formula

C28H33NO5 (C28 H33 NO5)

Compound Name

4-{[(4Z)-2-[4-(decyloxy)phenyl]-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

IUPAC name

4-{[(4Z)-2-[4-(decyloxy)phenyl]-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}phenyl acetate

SMILES

CCCCCCCCCCOc(cc1)ccc1C(OC1=O)=N/C1=C\c(cc1)ccc1OC(C)=O

InChI

InChI=1S/C28H33NO5/c1-3-4-5-6-7-8-9-10-19-32-24-17-13-23(14-18-24)27-29-26(28(31)34-27)20-22-11-15-25(16-12-22)33-21(2)30/h11-18,20H,3-10,19H2,1-2H3

InChI Key

GNXNOYJNCXLBHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00319872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.239

Distribution Coefficient, logD

7.239

Water Solubility, LogSw

-5.69

Polar Surface Area

58.544

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with 2165-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2165-1045?
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What is the minimum amount of 2165-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2165-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2165-1045
  • 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 2165-1045 available by request