D011-3184 Screening compound: 4-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

D011-3184 Screening compound: 4-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
D011-3184 Screening compound: 4-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-3184
4-{1-[(2,5-dimethylphenyl)methyl]-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

D011-3184

Molecular Formula

C27H24F3N3O (C27 H24 F3 N3 O)

Compound Name

4-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

IUPAC name

4-{1-[(25-dimethylphenyl)methyl]-1H-13-benzodiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

SMILES

Cc1cc(Cn2c(cccc3)c3nc2C(CC2=O)CN2c2cccc(C(F)(F)F)c2)c(C)cc1

InChI

InChI=1S/C27H24F3N3O/c1-17-10-11-18(2)19(12-17)15-33-24-9-4-3-8-23(24)31-26(33)20-13-25(34)32(16-20)22-7-5-6-21(14-22)27(28,29)30/h3-12,14,20H,13,15-16H2,1-2H3/t20-/m1/s1

InChI Key

RBTPPBKQSKGUMW-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD07413841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.739

Distribution Coefficient, logD

6.739

Water Solubility, LogSw

-5.67

Polar Surface Area

26.645

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

3.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

D011-3184 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D011-3184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-3184?
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What is the minimum amount of D011-3184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-3184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-3184
  • 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 D011-3184 available by request