4988-0362 Screening compound: (5Z)-2-(azepan-1-yl)-5-[(3-hydroxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one

4988-0362 Screening compound: (5Z)-2-(azepan-1-yl)-5-[(3-hydroxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one
4988-0362 Screening compound: (5Z)-2-(azepan-1-yl)-5-[(3-hydroxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4988-0362
(5Z)-2-(azepan-1-yl)-5-[(3-hydroxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-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

4988-0362

Molecular Formula

C16H18N2O2S (C16 H18 N2 O2 S)

Compound Name

(5Z)-2-(azepan-1-yl)-5-[(3-hydroxyphenyl)methylidene]-4,5-dihydro-1,3-thiazol-4-one

IUPAC name

(5Z)-2-(azepan-1-yl)-5-[(3-hydroxyphenyl)methylidene]-45-dihydro-13-thiazol-4-one

SMILES

Oc1cccc(/C=C2\SC(N3CCCCCC3)=NC2=O)c1

InChI

InChI=1S/C16H18N2O2S/c19-13-7-5-6-12(10-13)11-14-15(20)17-16(21-14)18-8-3-1-2-4-9-18/h5-7,10-11,19H,1-4,8-9H2

InChI Key

UYABNJFPDIFPKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02052714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.192

Distribution Coefficient, logD

3.189

Water Solubility, LogSw

-3.06

Polar Surface Area

43.543

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 4988-0362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4988-0362?
Check Price and Availability of 4988-0362, 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 4988-0362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4988-0362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4988-0362
  • 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 4988-0362 available by request