P518-0711 Screening compound: (5-CYCLOPROPYL-5,6-DIHYDRO-4H-THIENO[2,3-C]PYRROL-2-YL)(4-ISOPROPYLPIPERAZINO)METHANONE

P518-0711 Screening compound: (5-CYCLOPROPYL-5,6-DIHYDRO-4H-THIENO[2,3-C]PYRROL-2-YL)(4-ISOPROPYLPIPERAZINO)METHANONE
P518-0711 Screening compound: (5-CYCLOPROPYL-5,6-DIHYDRO-4H-THIENO[2,3-C]PYRROL-2-YL)(4-ISOPROPYLPIPERAZINO)METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound P518-0711
(5-CYCLOPROPYL-5,6-DIHYDRO-4H-THIENO[2,3-C]PYRROL-2-YL)(4-ISOPROPYLPIPERAZINO)METHANONE

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

P518-0711

Molecular Formula

C17H25N3OS (C17 H25 N3 OS)

Compound Name

(5-CYCLOPROPYL-5,6-DIHYDRO-4H-THIENO[2,3-C]PYRROL-2-YL)(4-ISOPROPYLPIPERAZINO)METHANONE

IUPAC name

n/a

SMILES

CC(C)N(CC1)CCN1C(c1cc(CN(C2)C3CC3)c2s1)=O

InChI

InChI=1S/C17H25N3OS/c1-12(2)18-5-7-19(8-6-18)17(21)15-9-13-10-20(14-3-4-14)11-16(13)22-15/h9,12,14H,3-8,10-11H2,1-2H3

InChI Key

SMEZYQGEWGAEDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.460

Distribution Coefficient, logD

-0.067

Water Solubility, LogSw

-2.52

Polar Surface Area

25.347

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

9.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.60

P518-0711 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P518-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P518-0711?
Check Price and Availability of P518-0711, 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 P518-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P518-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P518-0711
  • 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 P518-0711 available by request