0599-0781 Screening compound: 4-nitro-N-(2-phenylethyl)-2,1,3-benzothiadiazol-5-amine

0599-0781 Screening compound: 4-nitro-N-(2-phenylethyl)-2,1,3-benzothiadiazol-5-amine
0599-0781 Screening compound: 4-nitro-N-(2-phenylethyl)-2,1,3-benzothiadiazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0599-0781
4-nitro-N-(2-phenylethyl)-2,1,3-benzothiadiazol-5-amine

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

0599-0781

Molecular Formula

C14H12N4O2S (C14 H12 N4 O2 S)

Compound Name

4-nitro-N-(2-phenylethyl)-2,1,3-benzothiadiazol-5-amine

IUPAC name

4-nitro-N-(2-phenylethyl)-213-benzothiadiazol-5-amine

SMILES

[O-][N+](c(c1nsnc1cc1)c1NCCc1ccccc1)=O

InChI

InChI=1S/C14H12N4O2S/c19-18(20)14-12(7-6-11-13(14)17-21-16-11)15-9-8-10-4-2-1-3-5-10/h1-7,15H,8-9H2

InChI Key

VAUQZUBCUYCHJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.602

Distribution Coefficient, logD

3.602

Water Solubility, LogSw

-3.84

Polar Surface Area

63.349

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 0599-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0599-0781?
Check Price and Availability of 0599-0781, 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 0599-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0599-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0599-0781
  • 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 0599-0781 available by request