D491-4801 Screening compound: 4-bromo-N-[2-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide

D491-4801 Screening compound: 4-bromo-N-[2-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide
D491-4801 Screening compound: 4-bromo-N-[2-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-4801
4-bromo-N-[2-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide

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

D491-4801

Molecular Formula

C19H23BrN2OS (C19 H23 BrN2 OS)

Compound Name

4-bromo-N-[2-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide

IUPAC name

4-bromo-N-[2-(4-methylpiperidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide

SMILES

CC(CC1)CCN1C(CNC(c(cc1)ccc1Br)=O)c1cccs1

InChI

InChI=1S/C19H23BrN2OS/c1-14-8-10-22(11-9-14)17(18-3-2-12-24-18)13-21-19(23)15-4-6-16(20)7-5-15/h2-7,12,14,17H,8-11,13H2,1H3,(H,21,23)/t17-/m0/s1

InChI Key

UVAISRURWBBVMN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD18076912

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

407.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.297

Distribution Coefficient, logD

4.178

Water Solubility, LogSw

-4.08

Polar Surface Area

28.659

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

D491-4801 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D491-4801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-4801?
Check Price and Availability of D491-4801, 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 D491-4801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-4801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-4801
  • 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 D491-4801 available by request