8015-4109 Screening compound: 25-ethyl-12,24-dioxa-25-azahexacyclo[11.11.1.0~2,11~.0~3,8~.0~14,23~.0~15,20~]pentacosa-2(11),3(8),4,6,9,14(23),15(20),16,18,21-decaene

8015-4109 Screening compound: 25-ethyl-12,24-dioxa-25-azahexacyclo[11.11.1.0~2,11~.0~3,8~.0~14,23~.0~15,20~]pentacosa-2(11),3(8),4,6,9,14(23),15(20),16,18,21-decaene
8015-4109 Screening compound: 25-ethyl-12,24-dioxa-25-azahexacyclo[11.11.1.0~2,11~.0~3,8~.0~14,23~.0~15,20~]pentacosa-2(11),3(8),4,6,9,14(23),15(20),16,18,21-decaene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4109
25-ethyl-12,24-dioxa-25-azahexacyclo[11.11.1.0~2,11~.0~3,8~.0~14,23~.0~15,20~]pentacosa-2(11),3(8),4,6,9,14(23),15(20),16,18,21-decaene

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

8015-4109

Molecular Formula

C24H19NO2 (C24 H19 NO2)

Compound Name

25-ethyl-12,24-dioxa-25-azahexacyclo[11.11.1.0~2,11~.0~3,8~.0~14,23~.0~15,20~]pentacosa-2(11),3(8),4,6,9,14(23),15(20),16,18,21-decaene

IUPAC name

25-ethyl-1224-dioxa-25-azahexacyclo[11.11.1.0^{211}.0^{38}.0^{1423}.0^{1520}]pentacosa-2(11)3(8)46914(23)15(20)161821-decaene

SMILES

CCN(C1Oc2c3c4ccccc4cc2)C3Oc2c1c1ccccc1cc2

InChI

InChI=1S/C24H19NO2/c1-2-25-23-21-17-9-5-3-7-15(17)11-13-19(21)26-24(25)22-18-10-6-4-8-16(18)12-14-20(22)27-23/h3-14,23-24H,2H2,1H3

InChI Key

KJRFUKZQUIVQNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.876

Distribution Coefficient, logD

5.811

Water Solubility, LogSw

-6.72

Polar Surface Area

16.199

Acid Dissociation Constant (pKa)

25.49

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.67

8015-4109 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 8015-4109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4109?
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What is the minimum amount of 8015-4109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4109
  • 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 8015-4109 available by request