1491-0145 Screening compound: 4-bromo-N-[2,2,2-trichloro-1-(piperidin-1-yl)ethyl]benzamide

1491-0145 Screening compound: 4-bromo-N-[2,2,2-trichloro-1-(piperidin-1-yl)ethyl]benzamide
1491-0145 Screening compound: 4-bromo-N-[2,2,2-trichloro-1-(piperidin-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1491-0145
4-bromo-N-[2,2,2-trichloro-1-(piperidin-1-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

1491-0145

Molecular Formula

C14H16BrCl3N2O (C14 H16 BrCl3 N2 O)

Compound Name

4-bromo-N-[2,2,2-trichloro-1-(piperidin-1-yl)ethyl]benzamide

IUPAC name

4-bromo-N-[222-trichloro-1-(piperidin-1-yl)ethyl]benzamide

SMILES

O=C(c(cc1)ccc1Br)NC(C(Cl)(Cl)Cl)N1CCCCC1

InChI

InChI=1S/C14H16BrCl3N2O/c15-11-6-4-10(5-7-11)12(21)19-13(14(16,17)18)20-8-2-1-3-9-20/h4-7,13H,1-3,8-9H2,(H,19,21)/t13-/m0/s1

InChI Key

NZCYFWNHCNZCPB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00411983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.392

Distribution Coefficient, logD

3.945

Water Solubility, LogSw

-4.53

Polar Surface Area

26.497

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

2.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

1491-0145 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1491-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1491-0145?
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What is the minimum amount of 1491-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1491-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1491-0145
  • 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 1491-0145 available by request