G786-0121 Screening compound: N4-(4-methoxyphenyl)-5-nitro-N2-[(oxolan-2-yl)methyl]pyrimidine-2,4,6-triamine

G786-0121 Screening compound: N4-(4-methoxyphenyl)-5-nitro-N2-[(oxolan-2-yl)methyl]pyrimidine-2,4,6-triamine
G786-0121 Screening compound: N4-(4-methoxyphenyl)-5-nitro-N2-[(oxolan-2-yl)methyl]pyrimidine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0121
N4-(4-methoxyphenyl)-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

G786-0121

Molecular Formula

C16H20N6O4 (C16 H20 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H20N6O4/c1-25-11-6-4-10(5-7-11)19-15-13(22(23)24)14(17)20-16(21-15)18-9-12-3-2-8-26-12/h4-7,12H,2-3,8-9H2,1H3,(H4,17,18,19,20,21)/t12-/m1/s1

InChI Key

WFCDJNBWLORAEB-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD03692581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.447

Distribution Coefficient, logD

2.447

Water Solubility, LogSw

-2.86

Polar Surface Area

109.405

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

G786-0121 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G786-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0121?
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What is the minimum amount of G786-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0121
  • 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 G786-0121 available by request