4517-0699 Screening compound: 2-(2-{[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenoxy)acetic acid

4517-0699 Screening compound: 2-(2-{[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenoxy)acetic acid
4517-0699 Screening compound: 2-(2-{[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4517-0699
2-(2-{[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenoxy)acetic acid

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

4517-0699

Molecular Formula

C16H16N2O5S (C16 H16 N2 O5 S)

Compound Name

2-(2-{[(5Z)-2-(morpholin-4-yl)-4-oxo-4,5-dihydro-1,3-thiazol-5-ylidene]methyl}phenoxy)acetic acid

IUPAC name

2-(2-{[(5Z)-2-(morpholin-4-yl)-4-oxo-45-dihydro-13-thiazol-5-ylidene]methyl}phenoxy)acetic acid

SMILES

OC(COc1c(/C=C2\SC(N3CCOCC3)=NC2=O)cccc1)=O

InChI

InChI=1S/C16H16N2O5S/c19-14(20)10-23-12-4-2-1-3-11(12)9-13-15(21)17-16(24-13)18-5-7-22-8-6-18/h1-4,9H,5-8,10H2,(H,19,20)

InChI Key

LRLAYGAUUITJKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02966783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.753

Distribution Coefficient, logD

-2.484

Water Solubility, LogSw

-2.08

Polar Surface Area

69.473

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

4517-0699 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4517-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4517-0699?
Check Price and Availability of 4517-0699, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4517-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4517-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4517-0699
  • 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 4517-0699 available by request