3261-1023 Screening compound: 2-methyl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

3261-1023 Screening compound: 2-methyl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
3261-1023 Screening compound: 2-methyl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-1023
2-methyl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

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

3261-1023

Molecular Formula

C21H24N2O2S (C21 H24 N2 O2 S)

Compound Name

2-methyl-N-[3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide

IUPAC name

2-methyl-N-[3-(pyrrolidine-1-carbonyl)-4567-tetrahydro-1-benzothiophen-2-yl]benzamide

SMILES

Cc(cccc1)c1C(Nc1c(C(N2CCCC2)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C21H24N2O2S/c1-14-8-2-3-9-15(14)19(24)22-20-18(21(25)23-12-6-7-13-23)16-10-4-5-11-17(16)26-20/h2-3,8-9H,4-7,10-13H2,1H3,(H,22,24)

InChI Key

MNSZMVZRALFCKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01990063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.122

Distribution Coefficient, logD

0.944

Water Solubility, LogSw

-4.34

Polar Surface Area

40.059

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

-4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 3261-1023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-1023?
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What is the minimum amount of 3261-1023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-1023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-1023
  • 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 3261-1023 available by request