8014-8885 Screening compound: 11-[4-morpholino-6-(propylamino)-1,3,5-triazin-2-yl]-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one

8014-8885 Screening compound: 11-[4-morpholino-6-(propylamino)-1,3,5-triazin-2-yl]-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one
8014-8885 Screening compound: 11-[4-morpholino-6-(propylamino)-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 8014-8885
11-[4-morpholino-6-(propylamino)-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

8014-8885

Molecular Formula

C21H29N7O2 (C21 H29 N7 O2)

Compound Name

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

SMILES

CCCNc1nc(N(CC(C2)CN34)CC2C4=CC=CC3=O)nc(N2CCOCC2)n1

InChI

InChI=1S/C21H29N7O2/c1-2-6-22-19-23-20(26-7-9-30-10-8-26)25-21(24-19)27-12-15-11-16(14-27)17-4-3-5-18(29)28(17)13-15/h3-5,15-16H,2,6-14H2,1H3,(H,22,23,24,25)

InChI Key

ZGYWGMXRJZHNCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.912

Distribution Coefficient, logD

3.912

Water Solubility, LogSw

-3.77

Polar Surface Area

69.953

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

3.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.90

8014-8885 in Drug Discovery

Included in Screening Libraries

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 8014-8885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8885?
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What is the minimum amount of 8014-8885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8885
  • 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 8014-8885 available by request