3261-0719 Screening compound: 4-methyl-N-[3-(pyrrolidine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]benzamide

3261-0719 Screening compound: 4-methyl-N-[3-(pyrrolidine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]benzamide
3261-0719 Screening compound: 4-methyl-N-[3-(pyrrolidine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0719
4-methyl-N-[3-(pyrrolidine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-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

3261-0719

Molecular Formula

C22H26N2O2S (C22 H26 N2 O2 S)

Compound Name

4-methyl-N-[3-(pyrrolidine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]benzamide

IUPAC name

4-methyl-N-[3-(pyrrolidine-1-carbonyl)-4H5H6H7H8H-cyclohepta[b]thiophen-2-yl]benzamide

SMILES

Cc(cc1)ccc1C(Nc1c(C(N2CCCC2)=O)c(CCCCC2)c2s1)=O

InChI

InChI=1S/C22H26N2O2S/c1-15-9-11-16(12-10-15)20(25)23-21-19(22(26)24-13-5-6-14-24)17-7-3-2-4-8-18(17)27-21/h9-12H,2-8,13-14H2,1H3,(H,23,25)

InChI Key

ZDKNCKHAIBBTFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01821724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.53

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

4.823

Distribution Coefficient, logD

2.082

Water Solubility, LogSw

-4.58

Polar Surface Area

40.390

Acid Dissociation Constant (pKa)

4.66

Base Dissociation Constant (pKb)

-3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

3261-0719 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 3261-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0719?
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What is the minimum amount of 3261-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0719
  • 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 3261-0719 available by request