D347-2051 Screening compound: 4-{1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(2,6-dimethylphenyl)pyrrolidin-2-one

D347-2051 Screening compound: 4-{1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(2,6-dimethylphenyl)pyrrolidin-2-one
D347-2051 Screening compound: 4-{1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(2,6-dimethylphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-2051
4-{1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(2,6-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

D347-2051

Molecular Formula

C27H26ClN3O2 (C27 H26 ClN3 O2)

Compound Name

4-{1-[2-(2-chlorophenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(2,6-dimethylphenyl)pyrrolidin-2-one

IUPAC name

4-{1-[2-(2-chlorophenoxy)ethyl]-1H-13-benzodiazol-2-yl}-1-(26-dimethylphenyl)pyrrolidin-2-one

SMILES

Cc1cccc(C)c1N(CC(C1)c2nc(cccc3)c3n2CCOc(cccc2)c2Cl)C1=O

InChI

InChI=1S/C27H26ClN3O2/c1-18-8-7-9-19(2)26(18)31-17-20(16-25(31)32)27-29-22-11-4-5-12-23(22)30(27)14-15-33-24-13-6-3-10-21(24)28/h3-13,20H,14-17H2,1-2H3/t20-/m0/s1

InChI Key

HGVDXKRRSXSWCS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD13857812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.98

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.991

Distribution Coefficient, logD

5.991

Water Solubility, LogSw

-5.94

Polar Surface Area

33.526

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 D347-2051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-2051?
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What is the minimum amount of D347-2051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-2051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-2051
  • 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 D347-2051 available by request