G786-0013 Screening compound: N4-(4-methylphenyl)-5-nitro-N2-[(oxolan-2-yl)methyl]pyrimidine-2,4,6-triamine

G786-0013 Screening compound: N4-(4-methylphenyl)-5-nitro-N2-[(oxolan-2-yl)methyl]pyrimidine-2,4,6-triamine
G786-0013 Screening compound: N4-(4-methylphenyl)-5-nitro-N2-[(oxolan-2-yl)methyl]pyrimidine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0013
N4-(4-methylphenyl)-5-nitro-N2-[(oxolan-2-yl)methyl]pyrimidine-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

G786-0013

Molecular Formula

C16H20N6O3 (C16 H20 N6 O3)

Compound Name

N4-(4-methylphenyl)-5-nitro-N2-[(oxolan-2-yl)methyl]pyrimidine-2,4,6-triamine

IUPAC name

N4-(4-methylphenyl)-5-nitro-N2-[(oxolan-2-yl)methyl]pyrimidine-246-triamine

SMILES

Cc(cc1)ccc1Nc(nc(NCC1OCCC1)nc1N)c1[N+]([O-])=O

InChI

InChI=1S/C16H20N6O3/c1-10-4-6-11(7-5-10)19-15-13(22(23)24)14(17)20-16(21-15)18-9-12-3-2-8-25-12/h4-7,12H,2-3,8-9H2,1H3,(H4,17,18,19,20,21)/t12-/m1/s1

InChI Key

BEQYPXFNFQCPLQ-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD03686451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.888

Distribution Coefficient, logD

2.888

Water Solubility, LogSw

-3.46

Polar Surface Area

101.861

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

G786-0013 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with G786-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0013?
Check Price and Availability of G786-0013, 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 G786-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0013
  • 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 G786-0013 available by request