D011-6249 Screening compound: 4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(2,4-dimethylphenyl)pyrrolidin-2-one

D011-6249 Screening compound: 4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(2,4-dimethylphenyl)pyrrolidin-2-one
D011-6249 Screening compound: 4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(2,4-dimethylphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-6249
4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(2,4-dimethylphenyl)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

D011-6249

Molecular Formula

C26H23ClFN3O (C26 H23 ClFN3 O)

Compound Name

4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(2,4-dimethylphenyl)pyrrolidin-2-one

IUPAC name

4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}-1-(24-dimethylphenyl)pyrrolidin-2-one

SMILES

Cc(cc1)cc(C)c1N(CC(C1)c2nc(cccc3)c3n2Cc(c(F)ccc2)c2Cl)C1=O

InChI

InChI=1S/C26H23ClFN3O/c1-16-10-11-23(17(2)12-16)30-14-18(13-25(30)32)26-29-22-8-3-4-9-24(22)31(26)15-19-20(27)6-5-7-21(19)28/h3-12,18H,13-15H2,1-2H3/t18-/m0/s1

InChI Key

IHOPHOBYCJPOIH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07413824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.94

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.434

Distribution Coefficient, logD

6.434

Water Solubility, LogSw

-6.09

Polar Surface Area

26.344

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with D011-6249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-6249?
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What is the minimum amount of D011-6249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-6249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-6249
  • 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 D011-6249 available by request