6645-0303 Screening compound: 1-(4-benzylpiperazin-1-yl)propan-2-yl thiophene-2-carboxylate

6645-0303 Screening compound: 1-(4-benzylpiperazin-1-yl)propan-2-yl thiophene-2-carboxylate
6645-0303 Screening compound: 1-(4-benzylpiperazin-1-yl)propan-2-yl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6645-0303
1-(4-benzylpiperazin-1-yl)propan-2-yl thiophene-2-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

6645-0303

Molecular Formula

C19H24N2O2S (C19 H24 N2 O2 S)

Compound Name

1-(4-benzylpiperazin-1-yl)propan-2-yl thiophene-2-carboxylate

IUPAC name

1-(4-benzylpiperazin-1-yl)propan-2-yl thiophene-2-carboxylate

SMILES

CC(CN1CCN(Cc2ccccc2)CC1)OC(c1cccs1)=O

InChI

InChI=1S/C19H24N2O2S/c1-16(23-19(22)18-8-5-13-24-18)14-20-9-11-21(12-10-20)15-17-6-3-2-4-7-17/h2-8,13,16H,9-12,14-15H2,1H3/t16-/m0/s1

InChI Key

UNDAALDPAVNHQQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04491805

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

344.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.248

Distribution Coefficient, logD

3.005

Water Solubility, LogSw

-3.32

Polar Surface Area

28.846

Acid Dissociation Constant (pKa)

28.79

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

6645-0303 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6645-0303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6645-0303?
Check Price and Availability of 6645-0303, 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 6645-0303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6645-0303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6645-0303
  • 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 6645-0303 available by request