C535-0906 Screening compound: 1-{1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carbonyl}azepane

C535-0906 Screening compound: 1-{1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carbonyl}azepane
C535-0906 Screening compound: 1-{1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carbonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C535-0906
1-{1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carbonyl}azepane

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

C535-0906

Molecular Formula

C28H37N5O3 (C28 H37 N5 O3)

Compound Name

1-{1-[3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carbonyl}azepane

IUPAC name

1-{1-[3-(34-dimethoxyphenyl)-25-dimethylpyrazolo[15-a]pyrimidin-7-yl]piperidine-4-carbonyl}azepane

SMILES

Cc1nn2c(N(CC3)CCC3C(N3CCCCCC3)=O)cc(C)nc2c1-c(cc1)cc(OC)c1OC

InChI

InChI=1S/C28H37N5O3/c1-19-17-25(31-15-11-21(12-16-31)28(34)32-13-7-5-6-8-14-32)33-27(29-19)26(20(2)30-33)22-9-10-23(35-3)24(18-22)36-4/h9-10,17-18,21H,5-8,11-16H2,1-4H3

InChI Key

ONXIBQFBGVNCHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.996

Distribution Coefficient, logD

2.420

Water Solubility, LogSw

-4.22

Polar Surface Area

55.097

Acid Dissociation Constant (pKa)

23.23

Base Dissociation Constant (pKb)

8.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.57

C535-0906 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C535-0906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C535-0906?
Check Price and Availability of C535-0906, 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 C535-0906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C535-0906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C535-0906
  • 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 C535-0906 available by request