1829-0095 Screening compound: tris[2-hydroxy-3-(piperidin-1-yl)propyl]-1,3,5-triazinane-2,4,6-trione

1829-0095 Screening compound: tris[2-hydroxy-3-(piperidin-1-yl)propyl]-1,3,5-triazinane-2,4,6-trione
1829-0095 Screening compound: tris[2-hydroxy-3-(piperidin-1-yl)propyl]-1,3,5-triazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1829-0095
tris[2-hydroxy-3-(piperidin-1-yl)propyl]-1,3,5-triazinane-2,4,6-trione

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

1829-0095

Molecular Formula

C27H48N6O6 (C27 H48 N6 O6)

Compound Name

tris[2-hydroxy-3-(piperidin-1-yl)propyl]-1,3,5-triazinane-2,4,6-trione

IUPAC name

tris[2-hydroxy-3-(piperidin-1-yl)propyl]-135-triazinane-246-trione

SMILES

OC(CN1CCCCC1)CN(C(N(CC(CN1CCCCC1)O)C(N1CC(CN2CCCCC2)O)=O)=O)C1=O

InChI

InChI=1S/C27H48N6O6/c34-22(16-28-10-4-1-5-11-28)19-31-25(37)32(20-23(35)17-29-12-6-2-7-13-29)27(39)33(26(31)38)21-24(36)18-30-14-8-3-9-15-30/h22-24,34-36H,1-21H2

InChI Key

CZKFXYNEHFRPIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00317753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.71

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.500

Distribution Coefficient, logD

-0.854

Water Solubility, LogSw

-0.49

Polar Surface Area

110.079

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.73

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

88.90

1829-0095 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1829-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1829-0095?
Check Price and Availability of 1829-0095, 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 1829-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1829-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1829-0095
  • 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 1829-0095 available by request