C612-1372 Screening compound: 2-(4-{[(2,5-dimethoxyphenyl)methyl]carbamoyl}piperidin-1-yl)-N-(3-methoxyphenyl)pyridine-4-carboxamide

C612-1372 Screening compound: 2-(4-{[(2,5-dimethoxyphenyl)methyl]carbamoyl}piperidin-1-yl)-N-(3-methoxyphenyl)pyridine-4-carboxamide
C612-1372 Screening compound: 2-(4-{[(2,5-dimethoxyphenyl)methyl]carbamoyl}piperidin-1-yl)-N-(3-methoxyphenyl)pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-1372
2-(4-{[(2,5-dimethoxyphenyl)methyl]carbamoyl}piperidin-1-yl)-N-(3-methoxyphenyl)pyridine-4-carboxamide

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

C612-1372

Molecular Formula

C28H32N4O5 (C28 H32 N4 O5)

Compound Name

2-(4-{[(2,5-dimethoxyphenyl)methyl]carbamoyl}piperidin-1-yl)-N-(3-methoxyphenyl)pyridine-4-carboxamide

IUPAC name

2-(4-{[(25-dimethoxyphenyl)methyl]carbamoyl}piperidin-1-yl)-N-(3-methoxyphenyl)pyridine-4-carboxamide

SMILES

COc1cccc(NC(c2cc(N(CC3)CCC3C(NCc(cc(cc3)OC)c3OC)=O)ncc2)=O)c1

InChI

InChI=1S/C28H32N4O5/c1-35-23-6-4-5-22(17-23)31-28(34)20-9-12-29-26(16-20)32-13-10-19(11-14-32)27(33)30-18-21-15-24(36-2)7-8-25(21)37-3/h4-9,12,15-17,19H,10-11,13-14,18H2,1-3H3,(H,30,33)(H,31,34)

InChI Key

GHMRTSZILHFRHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14776009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.004

Distribution Coefficient, logD

4.004

Water Solubility, LogSw

-4.15

Polar Surface Area

82.425

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

C612-1372 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C612-1372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-1372?
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What is the minimum amount of C612-1372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-1372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-1372
  • 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 C612-1372 available by request