Y205-9908 Screening compound: (4-methyl-1,4-diazepan-1-yl)(4-propylphenyl)methanone

Y205-9908 Screening compound: (4-methyl-1,4-diazepan-1-yl)(4-propylphenyl)methanone
Y205-9908 Screening compound: (4-methyl-1,4-diazepan-1-yl)(4-propylphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-9908
(4-methyl-1,4-diazepan-1-yl)(4-propylphenyl)methanone

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

Y205-9908

Molecular Formula

C16H24N2O (C16 H24 N2 O)

Compound Name

(4-methyl-1,4-diazepan-1-yl)(4-propylphenyl)methanone

IUPAC name

1-methyl-4-(4-propylbenzoyl)-14-diazepane

SMILES

CCCc(cc1)ccc1C(N1CCN(C)CCC1)=O

InChI

InChI=1S/C16H24N2O/c1-3-5-14-6-8-15(9-7-14)16(19)18-11-4-10-17(2)12-13-18/h6-9H,3-5,10-13H2,1-2H3

InChI Key

REJCRHDNJVOPFG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.539

Distribution Coefficient, logD

1.894

Water Solubility, LogSw

-2.39

Polar Surface Area

20.694

Acid Dissociation Constant (pKa)

26.80

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.25

Y205-9908 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with Y205-9908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-9908?
Check Price and Availability of Y205-9908, 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 Y205-9908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-9908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-9908
  • 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 Y205-9908 available by request