6134-3227 Screening compound: propan-2-yl 4-(5-{[(4Z)-3-methyl-5-oxo-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}furan-2-yl)benzoate

6134-3227 Screening compound: propan-2-yl 4-(5-{[(4Z)-3-methyl-5-oxo-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}furan-2-yl)benzoate
6134-3227 Screening compound: propan-2-yl 4-(5-{[(4Z)-3-methyl-5-oxo-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6134-3227
propan-2-yl 4-(5-{[(4Z)-3-methyl-5-oxo-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}furan-2-yl)benzoate

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

6134-3227

Molecular Formula

C19H17NO5 (C19 H17 NO5)

Compound Name

propan-2-yl 4-(5-{[(4Z)-3-methyl-5-oxo-4,5-dihydro-1,2-oxazol-4-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

propan-2-yl 4-(5-{[(4Z)-3-methyl-5-oxo-45-dihydro-12-oxazol-4-ylidene]methyl}furan-2-yl)benzoate

SMILES

CC(C)OC(c(cc1)ccc1-c1ccc(/C=C(/C(C)=NO2)\C2=O)o1)=O

InChI

InChI=1S/C19H17NO5/c1-11(2)23-18(21)14-6-4-13(5-7-14)17-9-8-15(24-17)10-16-12(3)20-25-19(16)22/h4-11H,1-3H3

InChI Key

LJCQXDNXDUYAJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05625671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

3.897

Water Solubility, LogSw

-4.07

Polar Surface Area

63.139

Acid Dissociation Constant (pKa)

27.32

Base Dissociation Constant (pKb)

-4.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 6134-3227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6134-3227?
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What is the minimum amount of 6134-3227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6134-3227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6134-3227
  • 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 6134-3227 available by request