1601-0439 Screening compound: 3,5-dinitro-N'-(2,2,2-trifluoroacetyl)benzohydrazide

1601-0439 Screening compound: 3,5-dinitro-N'-(2,2,2-trifluoroacetyl)benzohydrazide
1601-0439 Screening compound: 3,5-dinitro-N'-(2,2,2-trifluoroacetyl)benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1601-0439
3,5-dinitro-N'-(2,2,2-trifluoroacetyl)benzohydrazide

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

1601-0439

Molecular Formula

C9H5F3N4O6 (C9 H5 F3 N4 O6)

Compound Name

3,5-dinitro-N'-(2,2,2-trifluoroacetyl)benzohydrazide

IUPAC name

35-dinitro-N'-(222-trifluoroacetyl)benzohydrazide

SMILES

[O-][N+](c1cc(C(NNC(C(F)(F)F)=O)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C9H5F3N4O6/c10-9(11,12)8(18)14-13-7(17)4-1-5(15(19)20)3-6(2-4)16(21)22/h1-3H,(H,13,17)(H,14,18)

InChI Key

OODDXAGKBHDETF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01057574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.16

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.335

Distribution Coefficient, logD

0.544

Water Solubility, LogSw

-1.98

Polar Surface Area

118.469

Acid Dissociation Constant (pKa)

6.69

Base Dissociation Constant (pKb)

-2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 1601-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1601-0439?
Check Price and Availability of 1601-0439, 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 1601-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1601-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1601-0439
  • 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 1601-0439 available by request