4789-2563 Screening compound: methyl 2-(3,5-dimethoxybenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

4789-2563 Screening compound: methyl 2-(3,5-dimethoxybenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
4789-2563 Screening compound: methyl 2-(3,5-dimethoxybenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-2563
methyl 2-(3,5-dimethoxybenzamido)-4H,5H,6H-cyclopenta[b]thiophene-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

4789-2563

Molecular Formula

C18H19NO5S (C18 H19 NO5 S)

Compound Name

methyl 2-(3,5-dimethoxybenzamido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-(35-dimethoxybenzamido)-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

COC(c1c(NC(c2cc(OC)cc(OC)c2)=O)sc2c1CCC2)=O

InChI

InChI=1S/C18H19NO5S/c1-22-11-7-10(8-12(9-11)23-2)16(20)19-17-15(18(21)24-3)13-5-4-6-14(13)25-17/h7-9H,4-6H2,1-3H3,(H,19,20)

InChI Key

QLISSZFUSXFSGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01335827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

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

3.612

Distribution Coefficient, logD

1.171

Water Solubility, LogSw

-4.14

Polar Surface Area

59.672

Acid Dissociation Constant (pKa)

4.96

Base Dissociation Constant (pKb)

-6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 4789-2563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-2563?
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What is the minimum amount of 4789-2563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-2563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-2563
  • 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 4789-2563 available by request