F614-0413 Screening compound: 4-butoxy-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}benzamide

F614-0413 Screening compound: 4-butoxy-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}benzamide
F614-0413 Screening compound: 4-butoxy-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F614-0413
4-butoxy-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}benzamide

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

F614-0413

Molecular Formula

C28H29N7O2 (C28 H29 N7 O2)

Compound Name

4-butoxy-N-{1-[1-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}benzamide

IUPAC name

4-butoxy-N-{1-[1-(23-dimethylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-yl}benzamide

SMILES

CCCCOc(cc1)ccc1C(Nc1cc(C)nn1-c1ncnc2c1cnn2-c1c(C)c(C)ccc1)=O

InChI

InChI=1S/C28H29N7O2/c1-5-6-14-37-22-12-10-21(11-13-22)28(36)32-25-15-19(3)33-35(25)27-23-16-31-34(26(23)29-17-30-27)24-9-7-8-18(2)20(24)4/h7-13,15-17H,5-6,14H2,1-4H3,(H,32,36)

InChI Key

GUELBFPWXHYKPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08923394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.124

Distribution Coefficient, logD

6.115

Water Solubility, LogSw

-5.42

Polar Surface Area

78.858

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F614-0413 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F614-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F614-0413?
Check Price and Availability of F614-0413, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F614-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F614-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F614-0413
  • 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 F614-0413 available by request