0330-0147 Screening compound: 1,1,1-trichloro-5,5-dimethyl-4-oxohexan-2-yl acetate

0330-0147 Screening compound: 1,1,1-trichloro-5,5-dimethyl-4-oxohexan-2-yl acetate
0330-0147 Screening compound: 1,1,1-trichloro-5,5-dimethyl-4-oxohexan-2-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0330-0147
1,1,1-trichloro-5,5-dimethyl-4-oxohexan-2-yl acetate

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

0330-0147

Molecular Formula

C10H15Cl3O3 (C10 H15 Cl3 O3)

Compound Name

1,1,1-trichloro-5,5-dimethyl-4-oxohexan-2-yl acetate

IUPAC name

111-trichloro-55-dimethyl-4-oxohexan-2-yl acetate

SMILES

CC(C)(C)C(CC(C(Cl)(Cl)Cl)OC(C)=O)=O

InChI

InChI=1S/C10H15Cl3O3/c1-6(14)16-8(10(11,12)13)5-7(15)9(2,3)4/h8H,5H2,1-4H3/t8-/m0/s1

InChI Key

BESQANZHFNEUAH-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00458728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.281

Distribution Coefficient, logD

3.281

Water Solubility, LogSw

-3.20

Polar Surface Area

34.161

Acid Dissociation Constant (pKa)

22.11

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.00

0330-0147 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0330-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0330-0147?
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What is the minimum amount of 0330-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0330-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0330-0147
  • 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 0330-0147 available by request