3305-0310 Screening compound: N4-benzyl-5-nitro-N2-phenylpyrimidine-2,4,6-triamine

3305-0310 Screening compound: N4-benzyl-5-nitro-N2-phenylpyrimidine-2,4,6-triamine
3305-0310 Screening compound: N4-benzyl-5-nitro-N2-phenylpyrimidine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3305-0310
N4-benzyl-5-nitro-N2-phenylpyrimidine-2,4,6-triamine

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

3305-0310

Molecular Formula

C17H16N6O2 (C17 H16 N6 O2)

Compound Name

N4-benzyl-5-nitro-N2-phenylpyrimidine-2,4,6-triamine

IUPAC name

N4-benzyl-5-nitro-N2-phenylpyrimidine-246-triamine

SMILES

Nc1nc(Nc2ccccc2)nc(NCc2ccccc2)c1[N+]([O-])=O

InChI

InChI=1S/C17H16N6O2/c18-15-14(23(24)25)16(19-11-12-7-3-1-4-8-12)22-17(21-15)20-13-9-5-2-6-10-13/h1-10H,11H2,(H4,18,19,20,21,22)

InChI Key

OLTOSXBUUDJQBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00515239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.427

Distribution Coefficient, logD

3.426

Water Solubility, LogSw

-3.70

Polar Surface Area

93.207

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

3305-0310 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3305-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3305-0310?
Check Price and Availability of 3305-0310, 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 3305-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3305-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3305-0310
  • 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 3305-0310 available by request