1818-0010 Screening compound: N2,N2,N4,N4-tetraethyl-N6-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine

1818-0010 Screening compound: N2,N2,N4,N4-tetraethyl-N6-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
1818-0010 Screening compound: N2,N2,N4,N4-tetraethyl-N6-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1818-0010
N2,N2,N4,N4-tetraethyl-N6-(4-nitrophenyl)-1,3,5-triazine-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

1818-0010

Molecular Formula

C17H25N7O2 (C17 H25 N7 O2)

Compound Name

N2,N2,N4,N4-tetraethyl-N6-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine

IUPAC name

N2N2N4N4-tetraethyl-N6-(4-nitrophenyl)-135-triazine-246-triamine

SMILES

CCN(CC)c1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N(CC)CC)n1

InChI

InChI=1S/C17H25N7O2/c1-5-22(6-2)16-19-15(20-17(21-16)23(7-3)8-4)18-13-9-11-14(12-10-13)24(25)26/h9-12H,5-8H2,1-4H3,(H,18,19,20,21)

InChI Key

BTLPXFFYNJUWKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00580071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.804

Distribution Coefficient, logD

5.735

Water Solubility, LogSw

-5.65

Polar Surface Area

76.859

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

1818-0010 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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 1818-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1818-0010?
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What is the minimum amount of 1818-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1818-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1818-0010
  • 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 1818-0010 available by request