1491-0561 Screening compound: N-[2,2,2-trichloro-1-(dibenzylamino)ethyl]propanamide

1491-0561 Screening compound: N-[2,2,2-trichloro-1-(dibenzylamino)ethyl]propanamide
1491-0561 Screening compound: N-[2,2,2-trichloro-1-(dibenzylamino)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1491-0561
N-[2,2,2-trichloro-1-(dibenzylamino)ethyl]propanamide

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

1491-0561

Molecular Formula

C19H21Cl3N2O (C19 H21 Cl3 N2 O)

Compound Name

N-[2,2,2-trichloro-1-(dibenzylamino)ethyl]propanamide

IUPAC name

N-[222-trichloro-1-(dibenzylamino)ethyl]propanamide

SMILES

CCC(NC(C(Cl)(Cl)Cl)N(Cc1ccccc1)Cc1ccccc1)=O

InChI

InChI=1S/C19H21Cl3N2O/c1-2-17(25)23-18(19(20,21)22)24(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h3-12,18H,2,13-14H2,1H3,(H,23,25)/t18-/m0/s1

InChI Key

UWHQJNFTVYCSSP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00372826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.75

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.809

Distribution Coefficient, logD

4.805

Water Solubility, LogSw

-4.73

Polar Surface Area

25.846

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

1491-0561 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 1491-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1491-0561?
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What is the minimum amount of 1491-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1491-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1491-0561
  • 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 1491-0561 available by request