Y080-1654 Screening compound: 4-[1-(2-ethoxyethyl)-1H-1,3-benzimidazol-2-yl]-1-(2-methylphenyl)-2-pyrrolidinone

Y080-1654 Screening compound: 4-[1-(2-ethoxyethyl)-1H-1,3-benzimidazol-2-yl]-1-(2-methylphenyl)-2-pyrrolidinone
Y080-1654 Screening compound: 4-[1-(2-ethoxyethyl)-1H-1,3-benzimidazol-2-yl]-1-(2-methylphenyl)-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1654
4-[1-(2-ethoxyethyl)-1H-1,3-benzimidazol-2-yl]-1-(2-methylphenyl)-2-pyrrolidinone

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

Y080-1654

Molecular Formula

C22H25N3O2 (C22 H25 N3 O2)

Compound Name

4-[1-(2-ethoxyethyl)-1H-1,3-benzimidazol-2-yl]-1-(2-methylphenyl)-2-pyrrolidinone

IUPAC name

4-[1-(2-ethoxyethyl)-1H-13-benzodiazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one

SMILES

CCOCCn1c(cccc2)c2nc1C(CC1=O)CN1c1c(C)cccc1

InChI

InChI=1S/C22H25N3O2/c1-3-27-13-12-24-20-11-7-5-9-18(20)23-22(24)17-14-21(26)25(15-17)19-10-6-4-8-16(19)2/h4-11,17H,3,12-15H2,1-2H3/t17-/m1/s1

InChI Key

WVTZHWSIAUIUHU-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD13857261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.938

Distribution Coefficient, logD

3.938

Water Solubility, LogSw

-3.88

Polar Surface Area

34.572

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

Y080-1654 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y080-1654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1654?
Check Price and Availability of Y080-1654, 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 Y080-1654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1654
  • 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 Y080-1654 available by request