Y080-0701 Screening compound: N-butyl-2-{2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}-N-methylacetamide

Y080-0701 Screening compound: N-butyl-2-{2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}-N-methylacetamide
Y080-0701 Screening compound: N-butyl-2-{2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0701
N-butyl-2-{2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}-N-methylacetamide

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

Y080-0701

Molecular Formula

C25H30N4O3 (C25 H30 N4 O3)

Compound Name

N-butyl-2-{2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-1,3-benzodiazol-1-yl}-N-methylacetamide

IUPAC name

N-butyl-2-{2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-13-benzodiazol-1-yl}-N-methylacetamide

SMILES

CCCCN(C)C(Cn1c(cccc2)c2nc1C(CC1=O)CN1c(cc1)ccc1OC)=O

InChI

InChI=1S/C25H30N4O3/c1-4-5-14-27(2)24(31)17-29-22-9-7-6-8-21(22)26-25(29)18-15-23(30)28(16-18)19-10-12-20(32-3)13-11-19/h6-13,18H,4-5,14-17H2,1-3H3/t18-/m1/s1

InChI Key

QSCGUBZRZASQRK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD10555331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.451

Distribution Coefficient, logD

3.451

Water Solubility, LogSw

-3.50

Polar Surface Area

50.334

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y080-0701 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y080-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0701?
Check Price and Availability of Y080-0701, 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 Y080-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0701
  • 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 Y080-0701 available by request