8004-2409 Screening compound: 1-{4,6-bis[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1-methylurea

8004-2409 Screening compound: 1-{4,6-bis[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1-methylurea
8004-2409 Screening compound: 1-{4,6-bis[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-2409
1-{4,6-bis[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1-methylurea

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

8004-2409

Molecular Formula

C11H21N7O (C11 H21 N7 O)

Compound Name

1-{4,6-bis[(propan-2-yl)amino]-1,3,5-triazin-2-yl}-1-methylurea

IUPAC name

1-{46-bis[(propan-2-yl)amino]-135-triazin-2-yl}-1-methylurea

SMILES

CC(C)Nc1nc(N(C)C(N)=O)nc(NC(C)C)n1

InChI

InChI=1S/C11H21N7O/c1-6(2)13-9-15-10(14-7(3)4)17-11(16-9)18(5)8(12)19/h6-7H,1-5H3,(H2,12,19)(H2,13,14,15,16,17)

InChI Key

LXCLLZBDHXHUQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00484466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.007

Distribution Coefficient, logD

2.006

Water Solubility, LogSw

-2.33

Polar Surface Area

84.782

Acid Dissociation Constant (pKa)

15.41

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

8004-2409 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8004-2409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-2409?
Check Price and Availability of 8004-2409, 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 8004-2409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-2409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-2409
  • 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 8004-2409 available by request