8013-2865 Screening compound: ethyl 5-chloro-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylate

8013-2865 Screening compound: ethyl 5-chloro-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylate
8013-2865 Screening compound: ethyl 5-chloro-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2865
ethyl 5-chloro-4,6-dimethyl-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

8013-2865

Molecular Formula

C16H15ClN2O2S (C16 H15 ClN2 O2 S)

Compound Name

ethyl 5-chloro-4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylate

IUPAC name

ethyl 5-chloro-46-dimethyl-3-(1H-pyrrol-1-yl)thieno[23-b]pyridine-2-carboxylate

SMILES

CCOC(c(sc(c1c2C)nc(C)c2Cl)c1-n1cccc1)=O

InChI

InChI=1S/C16H15ClN2O2S/c1-4-21-16(20)14-13(19-7-5-6-8-19)11-9(2)12(17)10(3)18-15(11)22-14/h5-8H,4H2,1-3H3

InChI Key

FJKILPUGKVKVGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.905

Distribution Coefficient, logD

4.905

Water Solubility, LogSw

-5.02

Polar Surface Area

34.673

Acid Dissociation Constant (pKa)

29.31

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8013-2865 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8013-2865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2865?
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What is the minimum amount of 8013-2865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2865
  • 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 8013-2865 available by request