1187-0748 Screening compound: N-(2,2,2-trichloro-1-hydroxyethyl)butanamide

1187-0748 Screening compound: N-(2,2,2-trichloro-1-hydroxyethyl)butanamide
1187-0748 Screening compound: N-(2,2,2-trichloro-1-hydroxyethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-0748
N-(2,2,2-trichloro-1-hydroxyethyl)butanamide

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

1187-0748

Molecular Formula

C6H10Cl3NO2 (C6 H10 Cl3 NO2)

Compound Name

N-(2,2,2-trichloro-1-hydroxyethyl)butanamide

IUPAC name

N-(222-trichloro-1-hydroxyethyl)butanamide

SMILES

CCCC(NC(C(Cl)(Cl)Cl)O)=O

InChI

InChI=1S/C6H10Cl3NO2/c1-2-3-4(11)10-5(12)6(7,8)9/h5,12H,2-3H2,1H3,(H,10,11)/t5-/m0/s1

InChI Key

AVFRDELHYNUUQR-YFKPBYRVSA-N

MDL Number (MFCD)

MFCD00521946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.51

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

1.593

Distribution Coefficient, logD

1.592

Water Solubility, LogSw

-1.76

Polar Surface Area

42.162

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-6.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

83.30

1187-0748 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1187-0748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-0748?
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What is the minimum amount of 1187-0748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-0748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-0748
  • 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 1187-0748 available by request