Y080-0770 Screening compound: 1-(5-chloro-2-methoxyphenyl)-4-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

Y080-0770 Screening compound: 1-(5-chloro-2-methoxyphenyl)-4-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
Y080-0770 Screening compound: 1-(5-chloro-2-methoxyphenyl)-4-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0770
1-(5-chloro-2-methoxyphenyl)-4-{1-[2-(2,4-dimethylphenoxy)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

Y080-0770

Molecular Formula

C28H28ClN3O3 (C28 H28 ClN3 O3)

Compound Name

1-(5-chloro-2-methoxyphenyl)-4-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-(5-chloro-2-methoxyphenyl)-4-{1-[2-(24-dimethylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}pyrrolidin-2-one

SMILES

Cc(cc1)cc(C)c1OCCn1c(cccc2)c2nc1C(CC1=O)CN1c(cc(cc1)Cl)c1OC

InChI

InChI=1S/C28H28ClN3O3/c1-18-8-10-25(19(2)14-18)35-13-12-31-23-7-5-4-6-22(23)30-28(31)20-15-27(33)32(17-20)24-16-21(29)9-11-26(24)34-3/h4-11,14,16,20H,12-13,15,17H2,1-3H3/t20-/m1/s1

InChI Key

WOSHCGXVHDCVOW-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD09759548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490

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

6.448

Distribution Coefficient, logD

6.448

Water Solubility, LogSw

-6.11

Polar Surface Area

41.458

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with Y080-0770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0770?
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What is the minimum amount of Y080-0770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0770
  • 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 Y080-0770 available by request