0831-0857 Screening compound: 2,2,2-trichloro-N-[3-(dimethylamino)propyl]acetamide

0831-0857 Screening compound: 2,2,2-trichloro-N-[3-(dimethylamino)propyl]acetamide
0831-0857 Screening compound: 2,2,2-trichloro-N-[3-(dimethylamino)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0857
2,2,2-trichloro-N-[3-(dimethylamino)propyl]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

0831-0857

Molecular Formula

C7H13Cl3N2O (C7 H13 Cl3 N2 O)

Compound Name

2,2,2-trichloro-N-[3-(dimethylamino)propyl]acetamide

IUPAC name

222-trichloro-N-[3-(dimethylamino)propyl]acetamide

SMILES

CN(C)CCCNC(C(Cl)(Cl)Cl)=O

InChI

InChI=1S/C7H13Cl3N2O/c1-12(2)5-3-4-11-6(13)7(8,9)10/h3-5H2,1-2H3,(H,11,13)

InChI Key

JLOXBDRXWIKKPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00518622

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

247.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.162

Distribution Coefficient, logD

-1.310

Water Solubility, LogSw

-2.10

Polar Surface Area

28.902

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

9.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

85.70

0831-0857 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 0831-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0857?
Check Price and Availability of 0831-0857, 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 0831-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0857
  • 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 0831-0857 available by request