G786-0130 Screening compound: N4-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine

G786-0130 Screening compound: N4-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine
G786-0130 Screening compound: N4-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0130
N4-(4-methoxyphenyl)-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

G786-0130

Molecular Formula

C17H22N6O3 (C17 H22 N6 O3)

Compound Name

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

IUPAC name

N4-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine-46-diamine

SMILES

CC(CCC1)CN1c(nc1N)nc(Nc(cc2)ccc2OC)c1[N+]([O-])=O

InChI

InChI=1S/C17H22N6O3/c1-11-4-3-9-22(10-11)17-20-15(18)14(23(24)25)16(21-17)19-12-5-7-13(26-2)8-6-12/h5-8,11H,3-4,9-10H2,1-2H3,(H3,18,19,20,21)/t11-/m0/s1

InChI Key

SKSKDYDNBCQNQF-NSHDSACASA-N

MDL Number (MFCD)

MFCD03690774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.790

Distribution Coefficient, logD

3.790

Water Solubility, LogSw

-4.24

Polar Surface Area

91.695

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

3.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

G786-0130 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 G786-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0130?
Check Price and Availability of G786-0130, 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 G786-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0130
  • 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 G786-0130 available by request