C630-0145 Screening compound: 1-(2,5-dimethylphenyl)-4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

C630-0145 Screening compound: 1-(2,5-dimethylphenyl)-4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
C630-0145 Screening compound: 1-(2,5-dimethylphenyl)-4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0145
1-(2,5-dimethylphenyl)-4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}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

C630-0145

Molecular Formula

C28H29N3O2 (C28 H29 N3 O2)

Compound Name

1-(2,5-dimethylphenyl)-4-{1-[2-(3-methylphenoxy)ethyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

IUPAC name

1-(25-dimethylphenyl)-4-{1-[2-(3-methylphenoxy)ethyl]-1H-13-benzodiazol-2-yl}pyrrolidin-2-one

SMILES

Cc1cccc(OCCn2c(cccc3)c3nc2C(CC2=O)CN2c2c(C)ccc(C)c2)c1

InChI

InChI=1S/C28H29N3O2/c1-19-7-6-8-23(15-19)33-14-13-30-25-10-5-4-9-24(25)29-28(30)22-17-27(32)31(18-22)26-16-20(2)11-12-21(26)3/h4-12,15-16,22H,13-14,17-18H2,1-3H3/t22-/m1/s1

InChI Key

IOXCBEIXAFRUCY-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD05713392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.56

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

6.413

Distribution Coefficient, logD

6.413

Water Solubility, LogSw

-5.62

Polar Surface Area

33.741

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C630-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0145?
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What is the minimum amount of C630-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0145
  • 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 C630-0145 available by request