3261-0814 Screening compound: N-[3-(4-benzylpiperazine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]-3-methylbenzamide

3261-0814 Screening compound: N-[3-(4-benzylpiperazine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]-3-methylbenzamide
3261-0814 Screening compound: N-[3-(4-benzylpiperazine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3261-0814
N-[3-(4-benzylpiperazine-1-carbonyl)-4H,5H,6H,7H,8H-cyclohepta[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

3261-0814

Molecular Formula

C29H33N3O2S (C29 H33 N3 O2 S)

Compound Name

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

IUPAC name

N-[3-(4-benzylpiperazine-1-carbonyl)-4H5H6H7H8H-cyclohepta[b]thiophen-2-yl]-3-methylbenzamide

SMILES

Cc1cccc(C(Nc2c(C(N3CCN(Cc4ccccc4)CC3)=O)c(CCCCC3)c3s2)=O)c1

InChI

InChI=1S/C29H33N3O2S/c1-21-9-8-12-23(19-21)27(33)30-28-26(24-13-6-3-7-14-25(24)35-28)29(34)32-17-15-31(16-18-32)20-22-10-4-2-5-11-22/h2,4-5,8-12,19H,3,6-7,13-18,20H2,1H3,(H,30,33)

InChI Key

HQUVKCWSSZSAFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.374

Distribution Coefficient, logD

2.196

Water Solubility, LogSw

-5.30

Polar Surface Area

43.564

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.90

3261-0814 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with 3261-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3261-0814?
Check Price and Availability of 3261-0814, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3261-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3261-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3261-0814
  • 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 3261-0814 available by request