0687-0656 Screening compound: 3,5-dinitro-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)amino]ethyl}benzamide

0687-0656 Screening compound: 3,5-dinitro-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)amino]ethyl}benzamide
0687-0656 Screening compound: 3,5-dinitro-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)amino]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0687-0656
3,5-dinitro-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

0687-0656

Molecular Formula

C16H13Cl3N4O6 (C16 H13 Cl3 N4 O6)

Compound Name

3,5-dinitro-N-{2,2,2-trichloro-1-[(2-methoxyphenyl)amino]ethyl}benzamide

IUPAC name

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

SMILES

COc(cccc1)c1NC(C(Cl)(Cl)Cl)NC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C16H13Cl3N4O6/c1-29-13-5-3-2-4-12(13)20-15(16(17,18)19)21-14(24)9-6-10(22(25)26)8-11(7-9)23(27)28/h2-8,15,20H,1H3,(H,21,24)/t15-/m1/s1

InChI Key

KOBURHSWQXNAIX-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD00340135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.854

Distribution Coefficient, logD

2.208

Water Solubility, LogSw

-4.37

Polar Surface Area

107.145

Acid Dissociation Constant (pKa)

5.76

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 0687-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0687-0656?
Check Price and Availability of 0687-0656, 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 0687-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0687-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0687-0656
  • 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 0687-0656 available by request