D510-0985 Screening compound: 4-{1-[2-hydroxy-3-(2-methylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}-1-(4-methylphenyl)pyrrolidin-2-one

D510-0985 Screening compound: 4-{1-[2-hydroxy-3-(2-methylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}-1-(4-methylphenyl)pyrrolidin-2-one
D510-0985 Screening compound: 4-{1-[2-hydroxy-3-(2-methylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}-1-(4-methylphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D510-0985
4-{1-[2-hydroxy-3-(2-methylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}-1-(4-methylphenyl)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

D510-0985

Molecular Formula

C28H29N3O3 (C28 H29 N3 O3)

Compound Name

4-{1-[2-hydroxy-3-(2-methylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}-1-(4-methylphenyl)pyrrolidin-2-one

IUPAC name

4-{1-[2-hydroxy-3-(2-methylphenoxy)propyl]-1H-13-benzodiazol-2-yl}-1-(4-methylphenyl)pyrrolidin-2-one

SMILES

Cc(cc1)ccc1N(CC(C1)c2nc(cccc3)c3n2CC(COc2c(C)cccc2)O)C1=O

InChI

InChI=1S/C28H29N3O3/c1-19-11-13-22(14-12-19)30-16-21(15-27(30)33)28-29-24-8-4-5-9-25(24)31(28)17-23(32)18-34-26-10-6-3-7-20(26)2/h3-14,21,23,32H,15-18H2,1-2H3

InChI Key

GVYJGWCLZAACQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12548222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.517

Distribution Coefficient, logD

5.517

Water Solubility, LogSw

-5.37

Polar Surface Area

50.851

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D510-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D510-0985?
Check Price and Availability of D510-0985, 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 D510-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D510-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D510-0985
  • 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 D510-0985 available by request