8008-5994 Screening compound: N2,N4-bis[(furan-2-yl)methyl]-N6-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine

8008-5994 Screening compound: N2,N4-bis[(furan-2-yl)methyl]-N6-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
8008-5994 Screening compound: N2,N4-bis[(furan-2-yl)methyl]-N6-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5994
N2,N4-bis[(furan-2-yl)methyl]-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

8008-5994

Molecular Formula

C19H17N7O4 (C19 H17 N7 O4)

Compound Name

N2,N4-bis[(furan-2-yl)methyl]-N6-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine

IUPAC name

N2N4-bis[(furan-2-yl)methyl]-N6-(4-nitrophenyl)-135-triazine-246-triamine

SMILES

[O-][N+](c(cc1)ccc1Nc1nc(NCc2ccco2)nc(NCc2ccco2)n1)=O

InChI

InChI=1S/C19H17N7O4/c27-26(28)14-7-5-13(6-8-14)22-19-24-17(20-11-15-3-1-9-29-15)23-18(25-19)21-12-16-4-2-10-30-16/h1-10H,11-12H2,(H3,20,21,22,23,24,25)

InChI Key

PCAZUOJMCACXJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.132

Distribution Coefficient, logD

5.130

Water Solubility, LogSw

-5.46

Polar Surface Area

111.768

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8008-5994 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-5994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5994?
Check Price and Availability of 8008-5994, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8008-5994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5994
  • 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 8008-5994 available by request