M036-0200 Screening compound: 3-(1H-pyrrol-1-yl)-N-{[4-(pyrrolidin-1-yl)phenyl]methyl}thieno[2,3-b]pyridine-2-carboxamide

M036-0200 Screening compound: 3-(1H-pyrrol-1-yl)-N-{[4-(pyrrolidin-1-yl)phenyl]methyl}thieno[2,3-b]pyridine-2-carboxamide
M036-0200 Screening compound: 3-(1H-pyrrol-1-yl)-N-{[4-(pyrrolidin-1-yl)phenyl]methyl}thieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M036-0200
3-(1H-pyrrol-1-yl)-N-{[4-(pyrrolidin-1-yl)phenyl]methyl}thieno[2,3-b]pyridine-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

M036-0200

Molecular Formula

C23H22N4OS (C23 H22 N4 OS)

Compound Name

3-(1H-pyrrol-1-yl)-N-{[4-(pyrrolidin-1-yl)phenyl]methyl}thieno[2,3-b]pyridine-2-carboxamide

IUPAC name

3-(1H-pyrrol-1-yl)-N-{[4-(pyrrolidin-1-yl)phenyl]methyl}thieno[23-b]pyridine-2-carboxamide

SMILES

O=C(c(sc1ncccc11)c1-n1cccc1)NCc(cc1)ccc1N1CCCC1

InChI

InChI=1S/C23H22N4OS/c28-22(25-16-17-7-9-18(10-8-17)26-12-1-2-13-26)21-20(27-14-3-4-15-27)19-6-5-11-24-23(19)29-21/h3-11,14-15H,1-2,12-13,16H2,(H,25,28)

InChI Key

IEBYFXSTCGPTSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20736048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.583

Distribution Coefficient, logD

4.581

Water Solubility, LogSw

-4.32

Polar Surface Area

42.007

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

M036-0200 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M036-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M036-0200?
Check Price and Availability of M036-0200, 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 M036-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M036-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M036-0200
  • 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 M036-0200 available by request