G786-0119 Screening compound: N4-(4-methoxyphenyl)-5-nitro-N2-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine

G786-0119 Screening compound: N4-(4-methoxyphenyl)-5-nitro-N2-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine
G786-0119 Screening compound: N4-(4-methoxyphenyl)-5-nitro-N2-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0119
N4-(4-methoxyphenyl)-5-nitro-N2-(prop-2-en-1-yl)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

G786-0119

Molecular Formula

C14H16N6O3 (C14 H16 N6 O3)

Compound Name

N4-(4-methoxyphenyl)-5-nitro-N2-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine

IUPAC name

N4-(4-methoxyphenyl)-5-nitro-N2-(prop-2-en-1-yl)pyrimidine-246-triamine

SMILES

COc(cc1)ccc1Nc(nc(NCC=C)nc1N)c1[N+]([O-])=O

InChI

InChI=1S/C14H16N6O3/c1-3-8-16-14-18-12(15)11(20(21)22)13(19-14)17-9-4-6-10(23-2)7-5-9/h3-7H,1,8H2,2H3,(H4,15,16,17,18,19)

InChI Key

AJXRRPSTIFDDMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03693674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.726

Distribution Coefficient, logD

2.726

Water Solubility, LogSw

-3.40

Polar Surface Area

100.864

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G786-0119 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G786-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0119?
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What is the minimum amount of G786-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0119
  • 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 G786-0119 available by request