1491-0464 Screening compound: N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-4-methylbenzamide

1491-0464 Screening compound: N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-4-methylbenzamide
1491-0464 Screening compound: N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1491-0464
N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-4-methylbenzamide

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

1491-0464

Molecular Formula

C14H19Cl3N2O (C14 H19 Cl3 N2 O)

Compound Name

N-[1-(tert-butylamino)-2,2,2-trichloroethyl]-4-methylbenzamide

IUPAC name

N-[1-(tert-butylamino)-222-trichloroethyl]-4-methylbenzamide

SMILES

CC(C)(C)NC(C(Cl)(Cl)Cl)NC(c1ccc(C)cc1)=O

InChI

InChI=1S/C14H19Cl3N2O/c1-9-5-7-10(8-6-9)11(20)18-12(14(15,16)17)19-13(2,3)4/h5-8,12,19H,1-4H3,(H,18,20)/t12-/m1/s1

InChI Key

OOCHLLKIPZMYMU-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD00987376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.68

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.868

Distribution Coefficient, logD

3.266

Water Solubility, LogSw

-4.32

Polar Surface Area

33.867

Acid Dissociation Constant (pKa)

6.92

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

1491-0464 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 1491-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1491-0464?
Check Price and Availability of 1491-0464, 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 1491-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1491-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1491-0464
  • 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 1491-0464 available by request