D347-2639 Screening compound: 4-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(4-methylphenyl)pyrrolidin-2-one

D347-2639 Screening compound: 4-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(4-methylphenyl)pyrrolidin-2-one
D347-2639 Screening compound: 4-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(4-methylphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-2639
4-{1-[2-(2-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}-1-(4-methylphenyl)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

D347-2639

Molecular Formula

C27H27N3O2 (C27 H27 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(CC(C1)c2nc(cccc3)c3n2CCOc2c(C)cccc2)C1=O

InChI

InChI=1S/C27H27N3O2/c1-19-11-13-22(14-12-19)30-18-21(17-26(30)31)27-28-23-8-4-5-9-24(23)29(27)15-16-32-25-10-6-3-7-20(25)2/h3-14,21H,15-18H2,1-2H3/t21-/m1/s1

InChI Key

LDQGJZOUJXXAOB-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD04168493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

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

5.800

Distribution Coefficient, logD

5.800

Water Solubility, LogSw

-5.52

Polar Surface Area

34.128

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 D347-2639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-2639?
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What is the minimum amount of D347-2639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-2639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-2639
  • 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 D347-2639 available by request