SB91-0875 Screening compound: 5-methyl-N-(2-piperidinoethyl)-N-tetrahydro-1H-pyrrol-3-yl-2-thiophenecarboxamide

SB91-0875 Screening compound: 5-methyl-N-(2-piperidinoethyl)-N-tetrahydro-1H-pyrrol-3-yl-2-thiophenecarboxamide
SB91-0875 Screening compound: 5-methyl-N-(2-piperidinoethyl)-N-tetrahydro-1H-pyrrol-3-yl-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB91-0875
5-methyl-N-(2-piperidinoethyl)-N-tetrahydro-1H-pyrrol-3-yl-2-thiophenecarboxamide

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

SB91-0875

Molecular Formula

C17H27N3OS (C17 H27 N3 OS)

Compound Name

5-methyl-N-(2-piperidinoethyl)-N-tetrahydro-1H-pyrrol-3-yl-2-thiophenecarboxamide

IUPAC name

5-methyl-N-[2-(piperidin-1-yl)ethyl]-N-(pyrrolidin-3-yl)thiophene-2-carboxamide

SMILES

Cc1ccc(C(N(CCN2CCCCC2)C2CNCC2)=O)s1

InChI

InChI=1S/C17H27N3OS/c1-14-5-6-16(22-14)17(21)20(15-7-8-18-13-15)12-11-19-9-3-2-4-10-19/h5-6,15,18H,2-4,7-13H2,1H3/t15-/m0/s1

InChI Key

ZKASRSDVPGYENQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32249758

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

321.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.303

Distribution Coefficient, logD

0.053

Water Solubility, LogSw

-2.65

Polar Surface Area

32.660

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

9.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.59

SB91-0875 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB91-0875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB91-0875?
Check Price and Availability of SB91-0875, 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 SB91-0875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB91-0875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB91-0875
  • 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 SB91-0875 available by request