C614-6313 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide

C614-6313 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide
C614-6313 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-6313
N~1~-(1,3-benzodioxol-5-yl)-3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)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

C614-6313

Molecular Formula

C21H19N5O3 (C21 H19 N5 O3)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-3-{46-dimethyl-37810-tetraazatricyclo[7.4.0.0^{27}]trideca-13581012-hexaen-5-yl}propanamide

SMILES

Cc1c(CCC(Nc(cc2)cc3c2OCO3)=O)c(C)nc2c(cccn3)c3nn12

InChI

InChI=1S/C21H19N5O3/c1-12-15(13(2)26-21(23-12)16-4-3-9-22-20(16)25-26)6-8-19(27)24-14-5-7-17-18(10-14)29-11-28-17/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,24,27)

InChI Key

OFBDLUZOBLAPQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.394

Distribution Coefficient, logD

2.394

Water Solubility, LogSw

-3.05

Polar Surface Area

70.621

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C614-6313 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 C614-6313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-6313?
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What is the minimum amount of C614-6313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-6313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-6313
  • 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 C614-6313 available by request