0831-0638 Screening compound: 2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-dioxolan-2-yl]acetamide

0831-0638 Screening compound: 2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-dioxolan-2-yl]acetamide
0831-0638 Screening compound: 2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-dioxolan-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0638
2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-dioxolan-2-yl]acetamide

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

0831-0638

Molecular Formula

C6H5Cl3F3NO3 (C6 H5 Cl3 F3 NO3)

Compound Name

2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-dioxolan-2-yl]acetamide

IUPAC name

222-trifluoro-N-[2-(trichloromethyl)-13-dioxolan-2-yl]acetamide

SMILES

O=C(C(F)(F)F)NC1(C(Cl)(Cl)Cl)OCCO1

InChI

InChI=1S/C6H5Cl3F3NO3/c7-5(8,9)6(15-1-2-16-6)13-3(14)4(10,11)12/h1-2H2,(H,13,14)

InChI Key

MIEIKKUHNWFXTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00519747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

1.496

Water Solubility, LogSw

-2.58

Polar Surface Area

40.538

Acid Dissociation Constant (pKa)

6.98

Base Dissociation Constant (pKb)

-9.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

83.30

0831-0638 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0831-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0638?
Check Price and Availability of 0831-0638, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0831-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0638
  • 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 0831-0638 available by request