C614-6442 Screening compound: N~1~-(3,4-diethoxyphenethyl)-3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide

C614-6442 Screening compound: N~1~-(3,4-diethoxyphenethyl)-3-(2,4-dimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidin-3-yl)propanamide
C614-6442 Screening compound: N~1~-(3,4-diethoxyphenethyl)-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 C614-6442
N~1~-(3,4-diethoxyphenethyl)-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

C614-6442

Molecular Formula

C26H31N5O3 (C26 H31 N5 O3)

Compound Name

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

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-3-{46-dimethyl-37810-tetraazatricyclo[7.4.0.0^{27}]trideca-13581012-hexaen-5-yl}propanamide

SMILES

CCOc(ccc(CCNC(CCc1c(C)n2nc3ncccc3c2nc1C)=O)c1)c1OCC

InChI

InChI=1S/C26H31N5O3/c1-5-33-22-11-9-19(16-23(22)34-6-2)13-15-27-24(32)12-10-20-17(3)29-26-21-8-7-14-28-25(21)30-31(26)18(20)4/h7-9,11,14,16H,5-6,10,12-13,15H2,1-4H3,(H,27,32)

InChI Key

UFTROKGFGQAVIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14777009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.045

Distribution Coefficient, logD

2.045

Water Solubility, LogSw

-2.83

Polar Surface Area

69.090

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C614-6442 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C614-6442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-6442?
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What is the minimum amount of C614-6442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-6442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-6442
  • 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 C614-6442 available by request