D011-3160 Screening compound: 4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

D011-3160 Screening compound: 4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
D011-3160 Screening compound: 4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-3160
4-{1-[2-(3-methylphenoxy)ethyl]-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

D011-3160

Molecular Formula

C27H24F3N3O2 (C27 H24 F3 N3 O2)

Compound Name

4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

IUPAC name

4-{1-[2-(3-methylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

SMILES

Cc1cccc(OCCn2c(cccc3)c3nc2C(CC2=O)CN2c2cccc(C(F)(F)F)c2)c1

InChI

InChI=1S/C27H24F3N3O2/c1-18-6-4-9-22(14-18)35-13-12-32-24-11-3-2-10-23(24)31-26(32)19-15-25(34)33(17-19)21-8-5-7-20(16-21)27(28,29)30/h2-11,14,16,19H,12-13,15,17H2,1H3/t19-/m1/s1

InChI Key

BTHVSHIGZXGXPL-LJQANCHMSA-N

MDL Number (MFCD)

MFCD07413854

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

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.289

Distribution Coefficient, logD

6.289

Water Solubility, LogSw

-5.61

Polar Surface Area

34.042

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with D011-3160 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-3160?
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What is the minimum amount of D011-3160 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-3160
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-3160
  • 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 D011-3160 available by request