8012-5588 Screening compound: methyl 3-(furan-2-amido)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate

8012-5588 Screening compound: methyl 3-(furan-2-amido)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate
8012-5588 Screening compound: methyl 3-(furan-2-amido)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5588
methyl 3-(furan-2-amido)-4-(methoxymethyl)-6-methylthieno[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

8012-5588

Molecular Formula

C17H16N2O5S (C17 H16 N2 O5 S)

Compound Name

methyl 3-(furan-2-amido)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxylate

IUPAC name

methyl 3-(furan-2-amido)-4-(methoxymethyl)-6-methylthieno[23-b]pyridine-2-carboxylate

SMILES

Cc1cc(COC)c(c(NC(c2ccco2)=O)c(C(OC)=O)s2)c2n1

InChI

InChI=1S/C17H16N2O5S/c1-9-7-10(8-22-2)12-13(19-15(20)11-5-4-6-24-11)14(17(21)23-3)25-16(12)18-9/h4-7H,8H2,1-3H3,(H,19,20)

InChI Key

MTNUBVJBEDGGGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.049

Distribution Coefficient, logD

1.195

Water Solubility, LogSw

-2.84

Polar Surface Area

69.637

Acid Dissociation Constant (pKa)

6.61

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8012-5588 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 8012-5588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5588?
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What is the minimum amount of 8012-5588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5588
  • 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 8012-5588 available by request