2798-0825 Screening compound: methyl 2-(2,6-dimethoxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

2798-0825 Screening compound: methyl 2-(2,6-dimethoxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
2798-0825 Screening compound: methyl 2-(2,6-dimethoxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-0825
methyl 2-(2,6-dimethoxybenzamido)-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

2798-0825

Molecular Formula

C20H23NO5S (C20 H23 NO5 S)

Compound Name

methyl 2-(2,6-dimethoxybenzamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-(26-dimethoxybenzamido)-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CC(CC1)Cc2c1c(C(OC)=O)c(NC(c(c(OC)ccc1)c1OC)=O)s2

InChI

InChI=1S/C20H23NO5S/c1-11-8-9-12-15(10-11)27-19(16(12)20(23)26-4)21-18(22)17-13(24-2)6-5-7-14(17)25-3/h5-7,11H,8-10H2,1-4H3,(H,21,22)/t11-/m1/s1

InChI Key

SBLAEBGGPOVQSC-LLVKDONJSA-N

MDL Number (MFCD)

MFCD01835011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.714

Distribution Coefficient, logD

-2.486

Water Solubility, LogSw

-4.48

Polar Surface Area

59.479

Acid Dissociation Constant (pKa)

1.20

Base Dissociation Constant (pKb)

-5.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

2798-0825 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2798-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2798-0825?
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What is the minimum amount of 2798-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-0825
  • 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 2798-0825 available by request