CM1461-4128 Screening compound: N~2~-[(1,5-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

CM1461-4128 Screening compound: N~2~-[(1,5-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CM1461-4128 Screening compound: N~2~-[(1,5-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM1461-4128
N~2~-[(1,5-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-2-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

CM1461-4128

Molecular Formula

C18H22N4O3 (C18 H22 N4 O3)

Compound Name

N~2~-[(1,5-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-({15-dimethyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}methyl)-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

Cn1nc(CNC(C2Oc(cccc3)c3OC2)=O)c2c1CCN(C)C2

InChI

InChI=1S/C18H22N4O3/c1-21-8-7-14-12(10-21)13(20-22(14)2)9-19-18(23)17-11-24-15-5-3-4-6-16(15)25-17/h3-6,17H,7-11H2,1-2H3,(H,19,23)/t17-/m0/s1

InChI Key

YJHWKQIVWCOYSR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD30458424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.540

Distribution Coefficient, logD

-5.681

Water Solubility, LogSw

-1.82

Polar Surface Area

58.932

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

13.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

CM1461-4128 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with CM1461-4128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM1461-4128?
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What is the minimum amount of CM1461-4128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM1461-4128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM1461-4128
  • 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 CM1461-4128 available by request