D011-3159 Screening compound: 4-{1-[2-(2-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

D011-3159 Screening compound: 4-{1-[2-(2-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
D011-3159 Screening compound: 4-{1-[2-(2-methoxyphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-3159
4-{1-[2-(2-methoxyphenoxy)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

D011-3159

Molecular Formula

C27H24F3N3O3 (C27 H24 F3 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1OCCn1c(cccc2)c2nc1C(CC1=O)CN1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C27H24F3N3O3/c1-35-23-11-4-5-12-24(23)36-14-13-32-22-10-3-2-9-21(22)31-26(32)18-15-25(34)33(17-18)20-8-6-7-19(16-20)27(28,29)30/h2-12,16,18H,13-15,17H2,1H3/t18-/m1/s1

InChI Key

PJKLNMWELBVSMD-GOSISDBHSA-N

MDL Number (MFCD)

MFCD05900482

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.481

Distribution Coefficient, logD

5.480

Water Solubility, LogSw

-5.49

Polar Surface Area

41.759

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

D011-3159 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 D011-3159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-3159?
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What is the minimum amount of D011-3159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-3159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-3159
  • 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 D011-3159 available by request