CM2642-1653 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CM2642-1653 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CM2642-1653 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2642-1653
N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-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

CM2642-1653

Molecular Formula

C14H22N4O4S (C14 H22 N4 O4 S)

Compound Name

N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-1-(2-methoxyethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-1-(2-methoxyethyl)-1H4H5H6H7H-pyrazolo[43-c]pyridine-3-carboxamide

SMILES

COCCn1nc(C(NC(CC2)CS2(=O)=O)=O)c2c1CCNC2

InChI

InChI=1S/C14H22N4O4S/c1-22-6-5-18-12-2-4-15-8-11(12)13(17-18)14(19)16-10-3-7-23(20,21)9-10/h10,15H,2-9H2,1H3,(H,16,19)/t10-/m1/s1

InChI Key

UOEQILOQSDTABA-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD30465492

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-2.072

Distribution Coefficient, logD

-10.544

Water Solubility, LogSw

-1.40

Polar Surface Area

87.679

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

14.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

CM2642-1653 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with CM2642-1653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2642-1653?
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What is the minimum amount of CM2642-1653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2642-1653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2642-1653
  • 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 CM2642-1653 available by request