C679-5277 Screening compound: 3-fluoro-N-[4-({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

C679-5277 Screening compound: 3-fluoro-N-[4-({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide
C679-5277 Screening compound: 3-fluoro-N-[4-({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-5277
3-fluoro-N-[4-({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

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

C679-5277

Molecular Formula

C20H14FN3O3S (C20 H14 FN3 O3 S)

Compound Name

3-fluoro-N-[4-({5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

IUPAC name

3-fluoro-N-[4-({5-oxo-5H-[13]thiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

SMILES

O=C(c1cc(F)ccc1)Nc(cc1)ccc1OCC(N=C1SC=CN11)=CC1=O

InChI

InChI=1S/C20H14FN3O3S/c21-14-3-1-2-13(10-14)19(26)22-15-4-6-17(7-5-15)27-12-16-11-18(25)24-8-9-28-20(24)23-16/h1-11H,12H2,(H,22,26)

InChI Key

RWVJGXAQLJJZCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.526

Distribution Coefficient, logD

2.525

Water Solubility, LogSw

-3.02

Polar Surface Area

56.512

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

C679-5277 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C679-5277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-5277?
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What is the minimum amount of C679-5277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-5277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-5277
  • 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 C679-5277 available by request