G786-0123 Screening compound: N2-[(furan-2-yl)methyl]-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine

G786-0123 Screening compound: N2-[(furan-2-yl)methyl]-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine
G786-0123 Screening compound: N2-[(furan-2-yl)methyl]-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0123
N2-[(furan-2-yl)methyl]-N4-(4-methoxyphenyl)-5-nitropyrimidine-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

G786-0123

Molecular Formula

C16H16N6O4 (C16 H16 N6 O4)

Compound Name

N2-[(furan-2-yl)methyl]-N4-(4-methoxyphenyl)-5-nitropyrimidine-2,4,6-triamine

IUPAC name

N2-[(furan-2-yl)methyl]-N4-(4-methoxyphenyl)-5-nitropyrimidine-246-triamine

SMILES

COc(cc1)ccc1Nc(nc(NCc1ccco1)nc1N)c1[N+]([O-])=O

InChI

InChI=1S/C16H16N6O4/c1-25-11-6-4-10(5-7-11)19-15-13(22(23)24)14(17)20-16(21-15)18-9-12-3-2-8-26-12/h2-8H,9H2,1H3,(H4,17,18,19,20,21)

InChI Key

WYPXDZCLCFKARD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03695088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.319

Distribution Coefficient, logD

3.319

Water Solubility, LogSw

-3.77

Polar Surface Area

108.499

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G786-0123 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G786-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0123?
Check Price and Availability of G786-0123, 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 G786-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0123
  • 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 G786-0123 available by request