G786-0028 Screening compound: N2-benzyl-N4-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine

G786-0028 Screening compound: N2-benzyl-N4-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine
G786-0028 Screening compound: N2-benzyl-N4-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0028
N2-benzyl-N4-(2-fluorophenyl)-5-nitropyrimidine-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

G786-0028

Molecular Formula

C17H15FN6O2 (C17 H15 FN6 O2)

Compound Name

N2-benzyl-N4-(2-fluorophenyl)-5-nitropyrimidine-2,4,6-triamine

IUPAC name

N2-benzyl-N4-(2-fluorophenyl)-5-nitropyrimidine-246-triamine

SMILES

Nc(nc(NCc1ccccc1)nc1Nc(cccc2)c2F)c1[N+]([O-])=O

InChI

InChI=1S/C17H15FN6O2/c18-12-8-4-5-9-13(12)21-16-14(24(25)26)15(19)22-17(23-16)20-10-11-6-2-1-3-7-11/h1-9H,10H2,(H4,19,20,21,22,23)

InChI Key

QMODTPWYVUXJAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03685002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.34

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

3.683

Distribution Coefficient, logD

3.683

Water Solubility, LogSw

-4.24

Polar Surface Area

92.509

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

G786-0028 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 G786-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0028?
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What is the minimum amount of G786-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0028
  • 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 G786-0028 available by request