Y080-0506 Screening compound: 1-(prop-2-en-1-yl)-4-{1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

Y080-0506 Screening compound: 1-(prop-2-en-1-yl)-4-{1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
Y080-0506 Screening compound: 1-(prop-2-en-1-yl)-4-{1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0506
1-(prop-2-en-1-yl)-4-{1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-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

Y080-0506

Molecular Formula

C25H29N3O (C25 H29 N3 O)

Compound Name

1-(prop-2-en-1-yl)-4-{1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-(prop-2-en-1-yl)-4-{1-[(2356-tetramethylphenyl)methyl]-1H-13-benzodiazol-2-yl}pyrrolidin-2-one

SMILES

Cc1c(C)c(Cn2c(cccc3)c3nc2C(C2)CN(CC=C)C2=O)c(C)c(C)c1

InChI

InChI=1S/C25H29N3O/c1-6-11-27-14-20(13-24(27)29)25-26-22-9-7-8-10-23(22)28(25)15-21-18(4)16(2)12-17(3)19(21)5/h6-10,12,20H,1,11,13-15H2,2-5H3/t20-/m1/s1

InChI Key

JGFNWOCRHPMCPX-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD07188466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.564

Distribution Coefficient, logD

5.554

Water Solubility, LogSw

-5.43

Polar Surface Area

27.341

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

5.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with Y080-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0506?
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What is the minimum amount of Y080-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0506
  • 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 Y080-0506 available by request