C679-2315 Screening compound: 7-{[2-(prop-2-en-1-yl)phenoxy]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C679-2315 Screening compound: 7-{[2-(prop-2-en-1-yl)phenoxy]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
C679-2315 Screening compound: 7-{[2-(prop-2-en-1-yl)phenoxy]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-2315
7-{[2-(prop-2-en-1-yl)phenoxy]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-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

C679-2315

Molecular Formula

C16H14N2O2S (C16 H14 N2 O2 S)

Compound Name

7-{[2-(prop-2-en-1-yl)phenoxy]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

IUPAC name

7-{[2-(prop-2-en-1-yl)phenoxy]methyl}-5H-[13]thiazolo[32-a]pyrimidin-5-one

SMILES

C=CCc(cccc1)c1OCC(N=C1SC=CN11)=CC1=O

InChI

InChI=1S/C16H14N2O2S/c1-2-5-12-6-3-4-7-14(12)20-11-13-10-15(19)18-8-9-21-16(18)17-13/h2-4,6-10H,1,5,11H2

InChI Key

JRLVUKHGUXJDHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.587

Distribution Coefficient, logD

2.587

Water Solubility, LogSw

-2.92

Polar Surface Area

33.508

Acid Dissociation Constant (pKa)

26.19

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C679-2315 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C679-2315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-2315?
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What is the minimum amount of C679-2315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-2315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-2315
  • 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 C679-2315 available by request