G786-0226 Screening compound: N4-(3-fluorophenyl)-5-nitro-N2-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine

G786-0226 Screening compound: N4-(3-fluorophenyl)-5-nitro-N2-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine
G786-0226 Screening compound: N4-(3-fluorophenyl)-5-nitro-N2-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0226
N4-(3-fluorophenyl)-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

G786-0226

Molecular Formula

C13H13FN6O2 (C13 H13 FN6 O2)

Compound Name

N4-(3-fluorophenyl)-5-nitro-N2-(prop-2-en-1-yl)pyrimidine-2,4,6-triamine

IUPAC name

N4-(3-fluorophenyl)-5-nitro-N2-(prop-2-en-1-yl)pyrimidine-246-triamine

SMILES

C=CCNc(nc1Nc2cccc(F)c2)nc(N)c1[N+]([O-])=O

InChI

InChI=1S/C13H13FN6O2/c1-2-6-16-13-18-11(15)10(20(21)22)12(19-13)17-9-5-3-4-8(14)7-9/h2-5,7H,1,6H2,(H4,15,16,17,18,19)

InChI Key

QVHQZXTUQOCCFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04010124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.897

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-3.39

Polar Surface Area

93.320

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

G786-0226 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 G786-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0226?
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What is the minimum amount of G786-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0226
  • 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 G786-0226 available by request