G786-0027 Screening compound: N4-(2-fluorophenyl)-N2-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine

G786-0027 Screening compound: N4-(2-fluorophenyl)-N2-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine
G786-0027 Screening compound: N4-(2-fluorophenyl)-N2-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0027
N4-(2-fluorophenyl)-N2-(3-methylbutyl)-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

G786-0027

Molecular Formula

C15H19FN6O2 (C15 H19 FN6 O2)

Compound Name

N4-(2-fluorophenyl)-N2-(3-methylbutyl)-5-nitropyrimidine-2,4,6-triamine

IUPAC name

N4-(2-fluorophenyl)-N2-(3-methylbutyl)-5-nitropyrimidine-246-triamine

SMILES

CC(C)CCNc(nc1Nc(cccc2)c2F)nc(N)c1[N+]([O-])=O

InChI

InChI=1S/C15H19FN6O2/c1-9(2)7-8-18-15-20-13(17)12(22(23)24)14(21-15)19-11-6-4-3-5-10(11)16/h3-6,9H,7-8H2,1-2H3,(H4,17,18,19,20,21)

InChI Key

IZIMMDABFYUVNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04072434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

3.946

Water Solubility, LogSw

-4.18

Polar Surface Area

92.622

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G786-0027 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 G786-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0027?
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What is the minimum amount of G786-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0027
  • 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 G786-0027 available by request