8015-3359 Screening compound: 11-{4-methoxy-6-[(2-morpholinoethyl)amino]-1,3,5-triazin-2-yl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

8015-3359 Screening compound: 11-{4-methoxy-6-[(2-morpholinoethyl)amino]-1,3,5-triazin-2-yl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
8015-3359 Screening compound: 11-{4-methoxy-6-[(2-morpholinoethyl)amino]-1,3,5-triazin-2-yl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3359
11-{4-methoxy-6-[(2-morpholinoethyl)amino]-1,3,5-triazin-2-yl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

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

8015-3359

Molecular Formula

C21H29N7O3 (C21 H29 N7 O3)

Compound Name

11-{4-methoxy-6-[(2-morpholinoethyl)amino]-1,3,5-triazin-2-yl}-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

IUPAC name

11-(4-methoxy-6-{[2-(morpholin-4-yl)ethyl]amino}-135-triazin-2-yl)-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-6-one

SMILES

COc1nc(NCCN2CCOCC2)nc(N(CC(C2)CN34)CC2C4=CC=CC3=O)n1

InChI

InChI=1S/C21H29N7O3/c1-30-21-24-19(22-5-6-26-7-9-31-10-8-26)23-20(25-21)27-12-15-11-16(14-27)17-3-2-4-18(29)28(17)13-15/h2-4,15-16H,5-14H2,1H3,(H,22,23,24,25)

InChI Key

PJYNPDPOXHGGJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.539

Distribution Coefficient, logD

2.450

Water Solubility, LogSw

-2.55

Polar Surface Area

78.629

Acid Dissociation Constant (pKa)

14.79

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

8015-3359 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8015-3359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3359?
Check Price and Availability of 8015-3359, 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 8015-3359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3359
  • 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 8015-3359 available by request