G786-0168 Screening compound: 2-{[6-amino-2-(azepan-1-yl)-5-nitropyrimidin-4-yl]amino}ethan-1-ol

G786-0168 Screening compound: 2-{[6-amino-2-(azepan-1-yl)-5-nitropyrimidin-4-yl]amino}ethan-1-ol
G786-0168 Screening compound: 2-{[6-amino-2-(azepan-1-yl)-5-nitropyrimidin-4-yl]amino}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0168
2-{[6-amino-2-(azepan-1-yl)-5-nitropyrimidin-4-yl]amino}ethan-1-ol

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

G786-0168

Molecular Formula

C12H20N6O3 (C12 H20 N6 O3)

Compound Name

2-{[6-amino-2-(azepan-1-yl)-5-nitropyrimidin-4-yl]amino}ethan-1-ol

IUPAC name

2-{[6-amino-2-(azepan-1-yl)-5-nitropyrimidin-4-yl]amino}ethan-1-ol

SMILES

Nc1nc(N2CCCCCC2)nc(NCCO)c1[N+]([O-])=O

InChI

InChI=1S/C12H20N6O3/c13-10-9(18(20)21)11(14-5-8-19)16-12(15-10)17-6-3-1-2-4-7-17/h19H,1-8H2,(H3,13,14,15,16)

InChI Key

XVOCSLCSCFRPIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04081426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.885

Distribution Coefficient, logD

1.885

Water Solubility, LogSw

-2.03

Polar Surface Area

102.639

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

G786-0168 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G786-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0168?
Check Price and Availability of G786-0168, 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 G786-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0168
  • 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 G786-0168 available by request