C679-5313 Screening compound: 2-fluoro-N-[2-({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

C679-5313 Screening compound: 2-fluoro-N-[2-({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide
C679-5313 Screening compound: 2-fluoro-N-[2-({3-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-5313
2-fluoro-N-[2-({3-methyl-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

C679-5313

Molecular Formula

C21H16FN3O3S (C21 H16 FN3 O3 S)

Compound Name

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

IUPAC name

2-fluoro-N-[2-({3-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]benzamide

SMILES

CC(N12)=CSC2=NC(COc(cccc2)c2NC(c(cccc2)c2F)=O)=CC1=O

InChI

InChI=1S/C21H16FN3O3S/c1-13-12-29-21-23-14(10-19(26)25(13)21)11-28-18-9-5-4-8-17(18)24-20(27)15-6-2-3-7-16(15)22/h2-10,12H,11H2,1H3,(H,24,27)

InChI Key

OSZMMNKZPQKMDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

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

3.180

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-3.71

Polar Surface Area

55.566

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C679-5313 in Drug Discovery

Included in Screening Libraries

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

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C679-5313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-5313?
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What is the minimum amount of C679-5313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-5313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-5313
  • 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 C679-5313 available by request