4155-0586F Screening compound: N2,N4-bis(3-methylphenyl)-5-nitropyrimidine-2,4-diamine

4155-0586F Screening compound: N2,N4-bis(3-methylphenyl)-5-nitropyrimidine-2,4-diamine
4155-0586F Screening compound: N2,N4-bis(3-methylphenyl)-5-nitropyrimidine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4155-0586F
N2,N4-bis(3-methylphenyl)-5-nitropyrimidine-2,4-diamine

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

4155-0586F

Molecular Formula

C18H17N5O2 (C18 H17 N5 O2)

Compound Name

N2,N4-bis(3-methylphenyl)-5-nitropyrimidine-2,4-diamine

IUPAC name

N2N4-bis(3-methylphenyl)-5-nitropyrimidine-24-diamine

SMILES

Cc1cccc(Nc(nc(Nc2cc(C)ccc2)nc2)c2[N+]([O-])=O)c1

InChI

InChI=1S/C18H17N5O2/c1-12-5-3-7-14(9-12)20-17-16(23(24)25)11-19-18(22-17)21-15-8-4-6-13(2)10-15/h3-11H,1-2H3,(H2,19,20,21,22)

InChI Key

DTCGDLKHLHIGLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00773201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.837

Distribution Coefficient, logD

4.836

Water Solubility, LogSw

-4.61

Polar Surface Area

72.011

Acid Dissociation Constant (pKa)

15.59

Base Dissociation Constant (pKb)

4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4155-0586F in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4155-0586F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4155-0586F?
Check Price and Availability of 4155-0586F, 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 4155-0586F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4155-0586F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4155-0586F
  • 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 4155-0586F available by request