D510-1069 Screening compound: 1-(4-chlorophenyl)-4-{1-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

D510-1069 Screening compound: 1-(4-chlorophenyl)-4-{1-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
D510-1069 Screening compound: 1-(4-chlorophenyl)-4-{1-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D510-1069
1-(4-chlorophenyl)-4-{1-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-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

D510-1069

Molecular Formula

C28H28ClN3O3 (C28 H28 ClN3 O3)

Compound Name

1-(4-chlorophenyl)-4-{1-[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-(4-chlorophenyl)-4-{1-[3-(35-dimethylphenoxy)-2-hydroxypropyl]-1H-13-benzodiazol-2-yl}pyrrolidin-2-one

SMILES

Cc1cc(OCC(Cn2c(cccc3)c3nc2C(CC2=O)CN2c(cc2)ccc2Cl)O)cc(C)c1

InChI

InChI=1S/C28H28ClN3O3/c1-18-11-19(2)13-24(12-18)35-17-23(33)16-32-26-6-4-3-5-25(26)30-28(32)20-14-27(34)31(15-20)22-9-7-21(29)8-10-22/h3-13,20,23,33H,14-17H2,1-2H3

InChI Key

UABRSHACUIOIBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490

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

5.972

Distribution Coefficient, logD

5.972

Water Solubility, LogSw

-5.89

Polar Surface Area

50.764

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

D510-1069 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D510-1069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D510-1069?
Check Price and Availability of D510-1069, 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 D510-1069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D510-1069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D510-1069
  • 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 D510-1069 available by request