C614-6432 Screening compound: 3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-N~1~-[4-(methylsulfanyl)phenethyl]propanamide

C614-6432 Screening compound: 3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-N~1~-[4-(methylsulfanyl)phenethyl]propanamide
C614-6432 Screening compound: 3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-N~1~-[4-(methylsulfanyl)phenethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-6432
3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-N~1~-[4-(methylsulfanyl)phenethyl]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

C614-6432

Molecular Formula

C23H25N5OS (C23 H25 N5 OS)

Compound Name

3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-N~1~-[4-(methylsulfanyl)phenethyl]propanamide

IUPAC name

3-{46-dimethyl-37810-tetraazatricyclo[7.4.0.0^{27}]trideca-13581012-hexaen-5-yl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}propanamide

SMILES

Cc1c(CCC(NCCc(cc2)ccc2SC)=O)c(C)nc2c(cccn3)c3nn12

InChI

InChI=1S/C23H25N5OS/c1-15-19(16(2)28-23(26-15)20-5-4-13-25-22(20)27-28)10-11-21(29)24-14-12-17-6-8-18(30-3)9-7-17/h4-9,13H,10-12,14H2,1-3H3,(H,24,29)

InChI Key

WUIZMHQCUDMNMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.756

Distribution Coefficient, logD

2.756

Water Solubility, LogSw

-3.14

Polar Surface Area

54.669

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C614-6432 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C614-6432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-6432?
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What is the minimum amount of C614-6432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-6432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-6432
  • 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 C614-6432 available by request