1491-0179 Screening compound: 3-nitro-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)amino]ethyl}benzamide

1491-0179 Screening compound: 3-nitro-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)amino]ethyl}benzamide
1491-0179 Screening compound: 3-nitro-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)amino]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1491-0179
3-nitro-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)amino]ethyl}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

1491-0179

Molecular Formula

C16H14Cl3N3O4 (C16 H14 Cl3 N3 O4)

Compound Name

3-nitro-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)amino]ethyl}benzamide

IUPAC name

3-nitro-N-{222-trichloro-1-[(2-methoxyphenyl)amino]ethyl}benzamide

SMILES

COc(cccc1)c1NC(C(Cl)(Cl)Cl)NC(c1cc([N+]([O-])=O)ccc1)=O

InChI

InChI=1S/C16H14Cl3N3O4/c1-26-13-8-3-2-7-12(13)20-15(16(17,18)19)21-14(23)10-5-4-6-11(9-10)22(24)25/h2-9,15,20H,1H3,(H,21,23)/t15-/m1/s1

InChI Key

FORXMDHNJOGXSN-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00371918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

3.217

Water Solubility, LogSw

-4.37

Polar Surface Area

73.764

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 1491-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1491-0179?
Check Price and Availability of 1491-0179, 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 1491-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1491-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1491-0179
  • 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 1491-0179 available by request