D011-3192 Screening compound: 4-[1-(3-phenoxypropyl)-1H-1,3-benzodiazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

D011-3192 Screening compound: 4-[1-(3-phenoxypropyl)-1H-1,3-benzodiazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
D011-3192 Screening compound: 4-[1-(3-phenoxypropyl)-1H-1,3-benzodiazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-3192
4-[1-(3-phenoxypropyl)-1H-1,3-benzodiazol-2-yl]-1-[3-(trifluoromethyl)phenyl]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

D011-3192

Molecular Formula

C27H24F3N3O2 (C27 H24 F3 N3 O2)

Compound Name

4-[1-(3-phenoxypropyl)-1H-1,3-benzodiazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

IUPAC name

4-[1-(3-phenoxypropyl)-1H-13-benzodiazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

SMILES

O=C(CC(C1)c2nc(cccc3)c3n2CCCOc2ccccc2)N1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C27H24F3N3O2/c28-27(29,30)20-8-6-9-21(17-20)33-18-19(16-25(33)34)26-31-23-12-4-5-13-24(23)32(26)14-7-15-35-22-10-2-1-3-11-22/h1-6,8-13,17,19H,7,14-16,18H2/t19-/m1/s1

InChI Key

KZGFXKWTSMTHON-LJQANCHMSA-N

MDL Number (MFCD)

MFCD07413849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.991

Distribution Coefficient, logD

5.991

Water Solubility, LogSw

-5.98

Polar Surface Area

34.042

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

D011-3192 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 D011-3192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-3192?
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What is the minimum amount of D011-3192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-3192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-3192
  • 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 D011-3192 available by request