G786-0238 Screening compound: N4-(3-fluorophenyl)-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine

G786-0238 Screening compound: N4-(3-fluorophenyl)-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
G786-0238 Screening compound: N4-(3-fluorophenyl)-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0238
N4-(3-fluorophenyl)-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-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

G786-0238

Molecular Formula

C16H19FN6O2 (C16 H19 FN6 O2)

Compound Name

N4-(3-fluorophenyl)-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine

IUPAC name

N4-(3-fluorophenyl)-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-46-diamine

SMILES

CC(CCC1)CN1c(nc1Nc2cccc(F)c2)nc(N)c1[N+]([O-])=O

InChI

InChI=1S/C16H19FN6O2/c1-10-4-3-7-22(9-10)16-20-14(18)13(23(24)25)15(21-16)19-12-6-2-5-11(17)8-12/h2,5-6,8,10H,3-4,7,9H2,1H3,(H3,18,19,20,21)/t10-/m0/s1

InChI Key

QMIHRHRGDQOUFU-JTQLQIEISA-N

MDL Number (MFCD)

MFCD04191078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.961

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-4.22

Polar Surface Area

84.151

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

G786-0238 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 G786-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0238?
Check Price and Availability of G786-0238, 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 G786-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0238
  • 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 G786-0238 available by request