3237-0627 Screening compound: ethyl 2-({[2-(benzoyloxy)-5-methoxyphenyl]methyl}amino)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

3237-0627 Screening compound: ethyl 2-({[2-(benzoyloxy)-5-methoxyphenyl]methyl}amino)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
3237-0627 Screening compound: ethyl 2-({[2-(benzoyloxy)-5-methoxyphenyl]methyl}amino)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3237-0627
ethyl 2-({[2-(benzoyloxy)-5-methoxyphenyl]methyl}amino)-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

3237-0627

Molecular Formula

C25H25NO5S (C25 H25 NO5 S)

Compound Name

ethyl 2-({[2-(benzoyloxy)-5-methoxyphenyl]methyl}amino)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-({[2-(benzoyloxy)-5-methoxyphenyl]methyl}amino)-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NCc(cc(cc2)OC)c2OC(c2ccccc2)=O)sc2c1CCC2)=O

InChI

InChI=1S/C25H25NO5S/c1-3-30-25(28)22-19-10-7-11-21(19)32-23(22)26-15-17-14-18(29-2)12-13-20(17)31-24(27)16-8-5-4-6-9-16/h4-6,8-9,12-14,26H,3,7,10-11,15H2,1-2H3

InChI Key

ZTCKHWXRMBUFRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01945743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.289

Distribution Coefficient, logD

5.289

Water Solubility, LogSw

-5.43

Polar Surface Area

59.316

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

3237-0627 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3237-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3237-0627?
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What is the minimum amount of 3237-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3237-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3237-0627
  • 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 3237-0627 available by request