G786-0037 Screening compound: N2-(3-aminopropyl)-N4-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine

G786-0037 Screening compound: N2-(3-aminopropyl)-N4-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
G786-0037 Screening compound: N2-(3-aminopropyl)-N4-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0037
N2-(3-aminopropyl)-N4-(3-methylphenyl)-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

G786-0037

Molecular Formula

C14H19N7O2 (C14 H19 N7 O2)

Compound Name

N2-(3-aminopropyl)-N4-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine

IUPAC name

N2-(3-aminopropyl)-N4-(3-methylphenyl)-5-nitropyrimidine-246-triamine

SMILES

Cc1cccc(Nc(nc(NCCCN)nc2N)c2[N+]([O-])=O)c1

InChI

InChI=1S/C14H19N7O2/c1-9-4-2-5-10(8-9)18-13-11(21(22)23)12(16)19-14(20-13)17-7-3-6-15/h2,4-5,8H,3,6-7,15H2,1H3,(H4,16,17,18,19,20)

InChI Key

HCZDSMLFXWOEFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04009766

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.713

Distribution Coefficient, logD

-0.869

Water Solubility, LogSw

-2.06

Polar Surface Area

114.475

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G786-0037 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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 G786-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0037?
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What is the minimum amount of G786-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0037
  • 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 G786-0037 available by request