8013-2854 Screening compound: methyl 4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylate

8013-2854 Screening compound: methyl 4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylate
8013-2854 Screening compound: methyl 4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2854
methyl 4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylate

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

8013-2854

Molecular Formula

C16H16N2O3S (C16 H16 N2 O3 S)

Compound Name

methyl 4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylate

IUPAC name

methyl 4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[23-b]pyridine-2-carboxylate

SMILES

Cc1cc(COC)c(c(-n2cccc2)c(C(OC)=O)s2)c2n1

InChI

InChI=1S/C16H16N2O3S/c1-10-8-11(9-20-2)12-13(18-6-4-5-7-18)14(16(19)21-3)22-15(12)17-10/h4-8H,9H2,1-3H3

InChI Key

AMWAJHHZXQJPHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.283

Distribution Coefficient, logD

3.266

Water Solubility, LogSw

-3.60

Polar Surface Area

42.747

Acid Dissociation Constant (pKa)

28.38

Base Dissociation Constant (pKb)

6.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8013-2854 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-2854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2854?
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What is the minimum amount of 8013-2854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2854
  • 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 8013-2854 available by request