0131-0007 Screening compound: N-[(1E)-1-(tert-butylamino)-2,2,2-trichloroethylidene]benzamide

0131-0007 Screening compound: N-[(1E)-1-(tert-butylamino)-2,2,2-trichloroethylidene]benzamide
0131-0007 Screening compound: N-[(1E)-1-(tert-butylamino)-2,2,2-trichloroethylidene]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0131-0007
N-[(1E)-1-(tert-butylamino)-2,2,2-trichloroethylidene]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

0131-0007

Molecular Formula

C13H15Cl3N2O (C13 H15 Cl3 N2 O)

Compound Name

N-[(1E)-1-(tert-butylamino)-2,2,2-trichloroethylidene]benzamide

IUPAC name

N-[(1E)-1-(tert-butylamino)-222-trichloroethylidene]benzamide

SMILES

CC(C)(C)N/C(/C(Cl)(Cl)Cl)=N/C(c1ccccc1)=O

InChI

InChI=1S/C13H15Cl3N2O/c1-12(2,3)18-11(13(14,15)16)17-10(19)9-7-5-4-6-8-9/h4-8H,1-3H3,(H,17,18,19)

InChI Key

YPSAOGFTTYPWCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00982398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.632

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-4.00

Polar Surface Area

32.076

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

7.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 0131-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0131-0007?
Check Price and Availability of 0131-0007, 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 0131-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0131-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0131-0007
  • 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 0131-0007 available by request