D388-0549 Screening compound: 4-tert-butyl-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide

D388-0549 Screening compound: 4-tert-butyl-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide
D388-0549 Screening compound: 4-tert-butyl-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D388-0549
4-tert-butyl-N-[2-(piperidin-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

D388-0549

Molecular Formula

C22H30N2OS (C22 H30 N2 OS)

Compound Name

4-tert-butyl-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide

IUPAC name

4-tert-butyl-N-[2-(piperidin-1-yl)-2-(thiophen-2-yl)ethyl]benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NCC(c1cccs1)N1CCCCC1)=O

InChI

InChI=1S/C22H30N2OS/c1-22(2,3)18-11-9-17(10-12-18)21(25)23-16-19(20-8-7-15-26-20)24-13-5-4-6-14-24/h7-12,15,19H,4-6,13-14,16H2,1-3H3,(H,23,25)/t19-/m0/s1

InChI Key

QZFBTOUHRVAYDR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD12917577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.841

Distribution Coefficient, logD

4.685

Water Solubility, LogSw

-4.39

Polar Surface Area

28.659

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

7.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D388-0549 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D388-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D388-0549?
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What is the minimum amount of D388-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D388-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D388-0549
  • 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 D388-0549 available by request