Y080-0223 Screening compound: 1-(azepan-1-yl)-2-{2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazol-1-yl}ethan-1-one

Y080-0223 Screening compound: 1-(azepan-1-yl)-2-{2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazol-1-yl}ethan-1-one
Y080-0223 Screening compound: 1-(azepan-1-yl)-2-{2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazol-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0223
1-(azepan-1-yl)-2-{2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazol-1-yl}ethan-1-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

Y080-0223

Molecular Formula

C24H29N3O3 (C24 H29 N3 O3)

Compound Name

1-(azepan-1-yl)-2-{2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazol-1-yl}ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-{2-[(34-dimethoxyphenyl)methyl]-1H-13-benzodiazol-1-yl}ethan-1-one

SMILES

COc(ccc(Cc1nc(cccc2)c2n1CC(N1CCCCCC1)=O)c1)c1OC

InChI

InChI=1S/C24H29N3O3/c1-29-21-12-11-18(15-22(21)30-2)16-23-25-19-9-5-6-10-20(19)27(23)17-24(28)26-13-7-3-4-8-14-26/h5-6,9-12,15H,3-4,7-8,13-14,16-17H2,1-2H3

InChI Key

NKILRLDUNZGTPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12961796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.828

Distribution Coefficient, logD

3.746

Water Solubility, LogSw

-4.00

Polar Surface Area

42.856

Acid Dissociation Constant (pKa)

18.43

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

Y080-0223 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y080-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0223?
Check Price and Availability of Y080-0223, 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 Y080-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0223
  • 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 Y080-0223 available by request