Y080-0768 Screening compound: 1-[(4-fluorophenyl)methyl]-4-{1-[2-(4-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

Y080-0768 Screening compound: 1-[(4-fluorophenyl)methyl]-4-{1-[2-(4-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
Y080-0768 Screening compound: 1-[(4-fluorophenyl)methyl]-4-{1-[2-(4-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0768
1-[(4-fluorophenyl)methyl]-4-{1-[2-(4-methoxyphenoxy)ethyl]-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

Y080-0768

Molecular Formula

C27H26FN3O3 (C27 H26 FN3 O3)

Compound Name

1-[(4-fluorophenyl)methyl]-4-{1-[2-(4-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-[(4-fluorophenyl)methyl]-4-{1-[2-(4-methoxyphenoxy)ethyl]-1H-13-benzodiazol-2-yl}pyrrolidin-2-one

SMILES

COc(cc1)ccc1OCCn1c(cccc2)c2nc1C(C1)CN(Cc(cc2)ccc2F)C1=O

InChI

InChI=1S/C27H26FN3O3/c1-33-22-10-12-23(13-11-22)34-15-14-31-25-5-3-2-4-24(25)29-27(31)20-16-26(32)30(18-20)17-19-6-8-21(28)9-7-19/h2-13,20H,14-18H2,1H3/t20-/m1/s1

InChI Key

MWUPHXFXFNIWKA-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD12962108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.613

Distribution Coefficient, logD

4.613

Water Solubility, LogSw

-4.27

Polar Surface Area

42.031

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with Y080-0768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0768?
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What is the minimum amount of Y080-0768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0768
  • 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 Y080-0768 available by request