1187-0785 Screening compound: 4-fluoro-N-[2,2,2-trichloro-1-(methylamino)ethyl]benzamide

1187-0785 Screening compound: 4-fluoro-N-[2,2,2-trichloro-1-(methylamino)ethyl]benzamide
1187-0785 Screening compound: 4-fluoro-N-[2,2,2-trichloro-1-(methylamino)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-0785
4-fluoro-N-[2,2,2-trichloro-1-(methylamino)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

1187-0785

Molecular Formula

C10H10Cl3FN2O (C10 H10 Cl3 FN2 O)

Compound Name

4-fluoro-N-[2,2,2-trichloro-1-(methylamino)ethyl]benzamide

IUPAC name

4-fluoro-N-[222-trichloro-1-(methylamino)ethyl]benzamide

SMILES

CNC(C(Cl)(Cl)Cl)NC(c(cc1)ccc1F)=O

InChI

InChI=1S/C10H10Cl3FN2O/c1-15-9(10(11,12)13)16-8(17)6-2-4-7(14)5-3-6/h2-5,9,15H,1H3,(H,16,17)/t9-/m0/s1

InChI Key

UWHYBTIPYDFRKZ-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00521966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.018

Distribution Coefficient, logD

1.933

Water Solubility, LogSw

-2.75

Polar Surface Area

35.194

Acid Dissociation Constant (pKa)

8.07

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 1187-0785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-0785?
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What is the minimum amount of 1187-0785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-0785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-0785
  • 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 1187-0785 available by request