3341-3950 Screening compound: ethyl 2-[4-(azepane-1-sulfonyl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

3341-3950 Screening compound: ethyl 2-[4-(azepane-1-sulfonyl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
3341-3950 Screening compound: ethyl 2-[4-(azepane-1-sulfonyl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3341-3950
ethyl 2-[4-(azepane-1-sulfonyl)benzamido]-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

3341-3950

Molecular Formula

C23H28N2O5S2 (C23 H28 N2 O5 S2)

Compound Name

ethyl 2-[4-(azepane-1-sulfonyl)benzamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-[4-(azepane-1-sulfonyl)benzamido]-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)ccc2S(N2CCCCCC2)(=O)=O)=O)sc2c1CCC2)=O

InChI

InChI=1S/C23H28N2O5S2/c1-2-30-23(27)20-18-8-7-9-19(18)31-22(20)24-21(26)16-10-12-17(13-11-16)32(28,29)25-14-5-3-4-6-15-25/h10-13H,2-9,14-15H2,1H3,(H,24,26)

InChI Key

OFSHVQLPIPCNPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02167775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.322

Distribution Coefficient, logD

0.161

Water Solubility, LogSw

-4.25

Polar Surface Area

76.206

Acid Dissociation Constant (pKa)

3.24

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

References: we are preparing a list of scientific research reports with 3341-3950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3341-3950?
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What is the minimum amount of 3341-3950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3341-3950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3341-3950
  • 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 3341-3950 available by request