1309-0344 Screening compound: N-[1-(benzylamino)-2,2,2-trichloroethyl]-4-methoxybenzamide

1309-0344 Screening compound: N-[1-(benzylamino)-2,2,2-trichloroethyl]-4-methoxybenzamide
1309-0344 Screening compound: N-[1-(benzylamino)-2,2,2-trichloroethyl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1309-0344
N-[1-(benzylamino)-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

1309-0344

Molecular Formula

C17H17Cl3N2O2 (C17 H17 Cl3 N2 O2)

Compound Name

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

IUPAC name

N-[1-(benzylamino)-222-trichloroethyl]-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(NC(C(Cl)(Cl)Cl)NCc1ccccc1)=O

InChI

InChI=1S/C17H17Cl3N2O2/c1-24-14-9-7-13(8-10-14)15(23)22-16(17(18,19)20)21-11-12-5-3-2-4-6-12/h2-10,16,21H,11H2,1H3,(H,22,23)/t16-/m0/s1

InChI Key

NTWRKEFHDSJKQG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00382508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.251

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.67

Polar Surface Area

42.316

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

1309-0344 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 1309-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1309-0344?
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What is the minimum amount of 1309-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1309-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1309-0344
  • 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 1309-0344 available by request