5141-0115 Screening compound: (4E)-2-(4-tert-butylphenyl)-4-{[2-(phenylsulfanyl)quinolin-3-yl]methylidene}-4,5-dihydro-1,3-oxazol-5-one

5141-0115 Screening compound: (4E)-2-(4-tert-butylphenyl)-4-{[2-(phenylsulfanyl)quinolin-3-yl]methylidene}-4,5-dihydro-1,3-oxazol-5-one
5141-0115 Screening compound: (4E)-2-(4-tert-butylphenyl)-4-{[2-(phenylsulfanyl)quinolin-3-yl]methylidene}-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5141-0115
(4E)-2-(4-tert-butylphenyl)-4-{[2-(phenylsulfanyl)quinolin-3-yl]methylidene}-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

5141-0115

Molecular Formula

C29H24N2O2S (C29 H24 N2 O2 S)

Compound Name

(4E)-2-(4-tert-butylphenyl)-4-{[2-(phenylsulfanyl)quinolin-3-yl]methylidene}-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4E)-2-(4-tert-butylphenyl)-4-{[2-(phenylsulfanyl)quinolin-3-yl]methylidene}-45-dihydro-13-oxazol-5-one

SMILES

CC(C)(C)c(cc1)ccc1C(OC1=O)=N/C1=C/c1cc2ccccc2nc1Sc1ccccc1

InChI

InChI=1S/C29H24N2O2S/c1-29(2,3)22-15-13-19(14-16-22)26-30-25(28(32)33-26)18-21-17-20-9-7-8-12-24(20)31-27(21)34-23-10-5-4-6-11-23/h4-18H,1-3H3

InChI Key

ZPNRGEMEGUQLDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08111064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.725

Distribution Coefficient, logD

7.725

Water Solubility, LogSw

-6.41

Polar Surface Area

38.566

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

References: we are preparing a list of scientific research reports with 5141-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5141-0115?
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What is the minimum amount of 5141-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5141-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5141-0115
  • 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 5141-0115 available by request