C614-6475 Screening compound: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-1-propanone

C614-6475 Screening compound: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-1-propanone
C614-6475 Screening compound: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-6475
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-1-propanone

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

C614-6475

Molecular Formula

C26H28N6O3 (C26 H28 N6 O3)

Compound Name

1-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)-1-propanone

IUPAC name

1-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-{46-dimethyl-37810-tetraazatricyclo[7.4.0.0^{27}]trideca-13581012-hexaen-5-yl}propan-1-one

SMILES

Cc1c(CCC(N2CCN(Cc(cc3)cc4c3OCO4)CC2)=O)c(C)nc2c(cccn3)c3nn12

InChI

InChI=1S/C26H28N6O3/c1-17-20(18(2)32-26(28-17)21-4-3-9-27-25(21)29-32)6-8-24(33)31-12-10-30(11-13-31)15-19-5-7-22-23(14-19)35-16-34-22/h3-5,7,9,14H,6,8,10-13,15-16H2,1-2H3

InChI Key

HSWAIQBFHNCCNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.042

Distribution Coefficient, logD

1.698

Water Solubility, LogSw

-2.68

Polar Surface Area

67.405

Acid Dissociation Constant (pKa)

21.74

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C614-6475 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-infective Library (19449 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C614-6475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-6475?
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What is the minimum amount of C614-6475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-6475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-6475
  • 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 C614-6475 available by request