1503-0779 Screening compound: N~1~-[1-(1-azepanyl)-2,2,2-trichloroethyl]-4-methoxybenzamide

1503-0779 Screening compound: N~1~-[1-(1-azepanyl)-2,2,2-trichloroethyl]-4-methoxybenzamide
1503-0779 Screening compound: N~1~-[1-(1-azepanyl)-2,2,2-trichloroethyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1503-0779
N~1~-[1-(1-azepanyl)-2,2,2-trichloroethyl]-4-methoxybenzamide

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

1503-0779

Molecular Formula

C16H21Cl3N2O2 (C16 H21 Cl3 N2 O2)

Compound Name

N~1~-[1-(1-azepanyl)-2,2,2-trichloroethyl]-4-methoxybenzamide

IUPAC name

N-[1-(azepan-1-yl)-222-trichloroethyl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(NC(C(Cl)(Cl)Cl)N1CCCCCC1)=O

InChI

InChI=1S/C16H21Cl3N2O2/c1-23-13-8-6-12(7-9-13)14(22)20-15(16(17,18)19)21-10-4-2-3-5-11-21/h6-9,15H,2-5,10-11H2,1H3,(H,20,22)/t15-/m0/s1

InChI Key

FANFPOMQIHZTCK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00619929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.036

Distribution Coefficient, logD

3.994

Water Solubility, LogSw

-4.47

Polar Surface Area

34.372

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

References: we are preparing a list of scientific research reports with 1503-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1503-0779?
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What is the minimum amount of 1503-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1503-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1503-0779
  • 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 1503-0779 available by request