D510-1090 Screening compound: 4-{1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-2-yl}-1-(4-fluorophenyl)pyrrolidin-2-one

D510-1090 Screening compound: 4-{1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-2-yl}-1-(4-fluorophenyl)pyrrolidin-2-one
D510-1090 Screening compound: 4-{1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-2-yl}-1-(4-fluorophenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D510-1090
4-{1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-2-yl}-1-(4-fluorophenyl)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

D510-1090

Molecular Formula

C27H25ClFN3O3 (C27 H25 ClFN3 O3)

Compound Name

4-{1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-1H-1,3-benzodiazol-2-yl}-1-(4-fluorophenyl)pyrrolidin-2-one

IUPAC name

4-{1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-1H-13-benzodiazol-2-yl}-1-(4-fluorophenyl)pyrrolidin-2-one

SMILES

Cc(cc(cc1)OCC(Cn2c(cccc3)c3nc2C(CC2=O)CN2c(cc2)ccc2F)O)c1Cl

InChI

InChI=1S/C27H25ClFN3O3/c1-17-12-22(10-11-23(17)28)35-16-21(33)15-32-25-5-3-2-4-24(25)30-27(32)18-13-26(34)31(14-18)20-8-6-19(29)7-9-20/h2-12,18,21,33H,13-16H2,1H3

InChI Key

OYESZBQPYOSCPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12548258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.97

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

5.803

Distribution Coefficient, logD

5.803

Water Solubility, LogSw

-5.77

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

25.90

References: we are preparing a list of scientific research reports with D510-1090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D510-1090?
Check Price and Availability of D510-1090, 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 D510-1090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D510-1090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D510-1090
  • 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 D510-1090 available by request