3759-1356 Screening compound: N-[3-(azepane-1-carbonyl)-4H,5H,6H-cyclopenta[b]thiophen-2-yl]-3-methylbenzamide

3759-1356 Screening compound: N-[3-(azepane-1-carbonyl)-4H,5H,6H-cyclopenta[b]thiophen-2-yl]-3-methylbenzamide
3759-1356 Screening compound: N-[3-(azepane-1-carbonyl)-4H,5H,6H-cyclopenta[b]thiophen-2-yl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3759-1356
N-[3-(azepane-1-carbonyl)-4H,5H,6H-cyclopenta[b]thiophen-2-yl]-3-methylbenzamide

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

3759-1356

Molecular Formula

C22H26N2O2S (C22 H26 N2 O2 S)

Compound Name

N-[3-(azepane-1-carbonyl)-4H,5H,6H-cyclopenta[b]thiophen-2-yl]-3-methylbenzamide

IUPAC name

N-[3-(azepane-1-carbonyl)-4H5H6H-cyclopenta[b]thiophen-2-yl]-3-methylbenzamide

SMILES

Cc1cccc(C(Nc2c(C(N3CCCCCC3)=O)c(CCC3)c3s2)=O)c1

InChI

InChI=1S/C22H26N2O2S/c1-15-8-6-9-16(14-15)20(25)23-21-19(17-10-7-11-18(17)27-21)22(26)24-12-4-2-3-5-13-24/h6,8-9,14H,2-5,7,10-13H2,1H3,(H,23,25)

InChI Key

DEWDKLRQHXNPRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01989183

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

4.648

Distribution Coefficient, logD

1.449

Water Solubility, LogSw

-4.45

Polar Surface Area

40.390

Acid Dissociation Constant (pKa)

4.20

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 3759-1356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3759-1356?
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What is the minimum amount of 3759-1356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3759-1356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3759-1356
  • 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 3759-1356 available by request