M036-0197 Screening compound: N-(cyclohexylmethyl)-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide

M036-0197 Screening compound: N-(cyclohexylmethyl)-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
M036-0197 Screening compound: N-(cyclohexylmethyl)-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M036-0197
N-(cyclohexylmethyl)-3-(1H-pyrrol-1-yl)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

M036-0197

Molecular Formula

C19H21N3OS (C19 H21 N3 OS)

Compound Name

N-(cyclohexylmethyl)-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide

IUPAC name

N-(cyclohexylmethyl)-3-(1H-pyrrol-1-yl)thieno[23-b]pyridine-2-carboxamide

SMILES

O=C(c(sc1ncccc11)c1-n1cccc1)NCC1CCCCC1

InChI

InChI=1S/C19H21N3OS/c23-18(21-13-14-7-2-1-3-8-14)17-16(22-11-4-5-12-22)15-9-6-10-20-19(15)24-17/h4-6,9-12,14H,1-3,7-8,13H2,(H,21,23)

InChI Key

MGYUXJSSFUKHKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20736047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.511

Distribution Coefficient, logD

4.509

Water Solubility, LogSw

-4.35

Polar Surface Area

38.380

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

M036-0197 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M036-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M036-0197?
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What is the minimum amount of M036-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M036-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M036-0197
  • 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 M036-0197 available by request