0945-0578 Screening compound: 1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane

0945-0578 Screening compound: 1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane
0945-0578 Screening compound: 1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0945-0578
1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane

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

0945-0578

Molecular Formula

C21H36N6 (C21 H36 N6)

Compound Name

1-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane

IUPAC name

1-[46-bis(azepan-1-yl)-135-triazin-2-yl]azepane

SMILES

C(CCC1)CCN1c1nc(N2CCCCCC2)nc(N2CCCCCC2)n1

InChI

InChI=1S/C21H36N6/c1-2-8-14-25(13-7-1)19-22-20(26-15-9-3-4-10-16-26)24-21(23-19)27-17-11-5-6-12-18-27/h1-18H2

InChI Key

SGSMJBWRYWJJFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00354535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.239

Distribution Coefficient, logD

7.238

Water Solubility, LogSw

-6.17

Polar Surface Area

38.236

Acid Dissociation Constant (pKa)

19.82

Base Dissociation Constant (pKb)

4.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

85.70

0945-0578 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 0945-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0945-0578?
Check Price and Availability of 0945-0578, 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 0945-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0945-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0945-0578
  • 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 0945-0578 available by request