C301-7105 Screening compound: 4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)phthalazin-1-amine

C301-7105 Screening compound: 4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)phthalazin-1-amine
C301-7105 Screening compound: 4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)phthalazin-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-7105
4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)phthalazin-1-amine

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

C301-7105

Molecular Formula

C22H23N5O3 (C22 H23 N5 O3)

Compound Name

4-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)phthalazin-1-amine

IUPAC name

4-(35-dimethyl-1H-pyrazol-1-yl)-N-(345-trimethoxyphenyl)phthalazin-1-amine

SMILES

Cc1cc(C)nn1-c(c1ccccc11)nnc1Nc(cc1OC)cc(OC)c1OC

InChI

InChI=1S/C22H23N5O3/c1-13-10-14(2)27(26-13)22-17-9-7-6-8-16(17)21(24-25-22)23-15-11-18(28-3)20(30-5)19(12-15)29-4/h6-12H,1-5H3,(H,23,24)

InChI Key

XRBCEBWWRHKADU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.994

Distribution Coefficient, logD

2.990

Water Solubility, LogSw

-3.25

Polar Surface Area

68.045

Acid Dissociation Constant (pKa)

16.79

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C301-7105 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-7105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-7105?
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What is the minimum amount of C301-7105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-7105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-7105
  • 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 C301-7105 available by request