C679-5616 Screening compound: 2,2-dimethyl-N-[4-({2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]propanamide

C679-5616 Screening compound: 2,2-dimethyl-N-[4-({2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]propanamide
C679-5616 Screening compound: 2,2-dimethyl-N-[4-({2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-5616
2,2-dimethyl-N-[4-({2-methyl-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]propanamide

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

C679-5616

Molecular Formula

C19H21N3O3S (C19 H21 N3 O3 S)

Compound Name

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

IUPAC name

22-dimethyl-N-[4-({2-methyl-5-oxo-5H-[13]thiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]propanamide

SMILES

CC(C)(C)C(Nc(cc1)ccc1OCC(N=C1SC(C)=CN11)=CC1=O)=O

InChI

InChI=1S/C19H21N3O3S/c1-12-10-22-16(23)9-14(21-18(22)26-12)11-25-15-7-5-13(6-8-15)20-17(24)19(2,3)4/h5-10H,11H2,1-4H3,(H,20,24)

InChI Key

ZUPGBAMPQWIWDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

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

2.545

Distribution Coefficient, logD

2.545

Water Solubility, LogSw

-2.91

Polar Surface Area

57.303

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C679-5616 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C679-5616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-5616?
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What is the minimum amount of C679-5616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-5616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-5616
  • 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 C679-5616 available by request