8010-8059 Screening compound: ethyl 2-(2-chloropyridine-3-amido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

8010-8059 Screening compound: ethyl 2-(2-chloropyridine-3-amido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
8010-8059 Screening compound: ethyl 2-(2-chloropyridine-3-amido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-8059
ethyl 2-(2-chloropyridine-3-amido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-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

8010-8059

Molecular Formula

C18H19ClN2O3S (C18 H19 ClN2 O3 S)

Compound Name

ethyl 2-(2-chloropyridine-3-amido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-(2-chloropyridine-3-amido)-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2cccnc2Cl)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C18H19ClN2O3S/c1-3-24-18(23)14-11-7-6-10(2)9-13(11)25-17(14)21-16(22)12-5-4-8-20-15(12)19/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,21,22)/t10-/m1/s1

InChI Key

JFMOFNUCPLWYNU-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.983

Distribution Coefficient, logD

-0.931

Water Solubility, LogSw

-4.75

Polar Surface Area

53.483

Acid Dissociation Constant (pKa)

2.49

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 8010-8059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-8059?
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What is the minimum amount of 8010-8059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-8059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-8059
  • 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 8010-8059 available by request