2187-2877 Screening compound: 4-tert-butyl-N-{2,2,2-trichloro-1-[(prop-2-en-1-yl)amino]ethyl}benzamide

2187-2877 Screening compound: 4-tert-butyl-N-{2,2,2-trichloro-1-[(prop-2-en-1-yl)amino]ethyl}benzamide
2187-2877 Screening compound: 4-tert-butyl-N-{2,2,2-trichloro-1-[(prop-2-en-1-yl)amino]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2187-2877
4-tert-butyl-N-{2,2,2-trichloro-1-[(prop-2-en-1-yl)amino]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

2187-2877

Molecular Formula

C16H21Cl3N2O (C16 H21 Cl3 N2 O)

Compound Name

4-tert-butyl-N-{2,2,2-trichloro-1-[(prop-2-en-1-yl)amino]ethyl}benzamide

IUPAC name

4-tert-butyl-N-{222-trichloro-1-[(prop-2-en-1-yl)amino]ethyl}benzamide

SMILES

CC(C)(C)c(cc1)ccc1C(NC(C(Cl)(Cl)Cl)NCC=C)=O

InChI

InChI=1S/C16H21Cl3N2O/c1-5-10-20-14(16(17,18)19)21-13(22)11-6-8-12(9-7-11)15(2,3)4/h5-9,14,20H,1,10H2,2-4H3,(H,21,22)/t14-/m0/s1

InChI Key

SBHNAPZXVVASOF-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00620324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.71

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.281

Distribution Coefficient, logD

4.266

Water Solubility, LogSw

-4.50

Polar Surface Area

34.885

Acid Dissociation Constant (pKa)

8.86

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with 2187-2877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2187-2877?
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What is the minimum amount of 2187-2877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2187-2877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2187-2877
  • 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 2187-2877 available by request