1503-0796 Screening compound: 4-methyl-N-(2,2,2-trichloro-1-{[(oxolan-2-yl)methyl]amino}ethyl)benzamide

1503-0796 Screening compound: 4-methyl-N-(2,2,2-trichloro-1-{[(oxolan-2-yl)methyl]amino}ethyl)benzamide
1503-0796 Screening compound: 4-methyl-N-(2,2,2-trichloro-1-{[(oxolan-2-yl)methyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1503-0796
4-methyl-N-(2,2,2-trichloro-1-{[(oxolan-2-yl)methyl]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

1503-0796

Molecular Formula

C15H19Cl3N2O2 (C15 H19 Cl3 N2 O2)

Compound Name

4-methyl-N-(2,2,2-trichloro-1-{[(oxolan-2-yl)methyl]amino}ethyl)benzamide

IUPAC name

4-methyl-N-(222-trichloro-1-{[(oxolan-2-yl)methyl]amino}ethyl)benzamide

SMILES

Cc(cc1)ccc1C(NC(C(Cl)(Cl)Cl)NCC1OCCC1)=O

InChI

InChI=1S/C15H19Cl3N2O2/c1-10-4-6-11(7-5-10)13(21)20-14(15(16,17)18)19-9-12-3-2-8-22-12/h4-7,12,14,19H,2-3,8-9H2,1H3,(H,20,21)

InChI Key

OLSTVGRJXFTXEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00619983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.584

Distribution Coefficient, logD

2.526

Water Solubility, LogSw

-3.36

Polar Surface Area

43.426

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.30

1503-0796 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1503-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1503-0796?
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What is the minimum amount of 1503-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1503-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1503-0796
  • 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 1503-0796 available by request