M036-0052 Screening compound: methyl 3-[3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-amido]benzoate

M036-0052 Screening compound: methyl 3-[3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-amido]benzoate
M036-0052 Screening compound: methyl 3-[3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M036-0052
methyl 3-[3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-amido]benzoate

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

M036-0052

Molecular Formula

C20H15N3O3S (C20 H15 N3 O3 S)

Compound Name

methyl 3-[3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-amido]benzoate

IUPAC name

methyl 3-[3-(1H-pyrrol-1-yl)thieno[23-b]pyridine-2-amido]benzoate

SMILES

COC(c1cccc(NC(c(sc2ncccc22)c2-n2cccc2)=O)c1)=O

InChI

InChI=1S/C20H15N3O3S/c1-26-20(25)13-6-4-7-14(12-13)22-18(24)17-16(23-10-2-3-11-23)15-8-5-9-21-19(15)27-17/h2-12H,1H3,(H,22,24)

InChI Key

GJCCAZWEADZFJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.300

Distribution Coefficient, logD

4.300

Water Solubility, LogSw

-4.47

Polar Surface Area

58.040

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

M036-0052 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M036-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M036-0052?
Check Price and Availability of M036-0052, 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 M036-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M036-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M036-0052
  • 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 M036-0052 available by request