G786-0077 Screening compound: 2-(4-benzylpiperazin-1-yl)-5-nitro-6-(piperidin-1-yl)pyrimidin-4-amine

G786-0077 Screening compound: 2-(4-benzylpiperazin-1-yl)-5-nitro-6-(piperidin-1-yl)pyrimidin-4-amine
G786-0077 Screening compound: 2-(4-benzylpiperazin-1-yl)-5-nitro-6-(piperidin-1-yl)pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0077
2-(4-benzylpiperazin-1-yl)-5-nitro-6-(piperidin-1-yl)pyrimidin-4-amine

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

G786-0077

Molecular Formula

C20H27N7O2 (C20 H27 N7 O2)

Compound Name

2-(4-benzylpiperazin-1-yl)-5-nitro-6-(piperidin-1-yl)pyrimidin-4-amine

IUPAC name

2-(4-benzylpiperazin-1-yl)-5-nitro-6-(piperidin-1-yl)pyrimidin-4-amine

SMILES

Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(N2CCCCC2)c1[N+]([O-])=O

InChI

InChI=1S/C20H27N7O2/c21-18-17(27(28)29)19(25-9-5-2-6-10-25)23-20(22-18)26-13-11-24(12-14-26)15-16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2,(H2,21,22,23)

InChI Key

ARMQOGVIQCTAIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04010209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.497

Distribution Coefficient, logD

3.389

Water Solubility, LogSw

-3.59

Polar Surface Area

81.591

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G786-0077 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G786-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0077?
Check Price and Availability of G786-0077, 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 G786-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0077
  • 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 G786-0077 available by request