C630-0104 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

C630-0104 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one
C630-0104 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0104
1-(5-chloro-2-methylphenyl)-4-[1-(2-phenoxyethyl)-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

C630-0104

Molecular Formula

C26H24ClN3O2 (C26 H24 ClN3 O2)

Compound Name

1-(5-chloro-2-methylphenyl)-4-[1-(2-phenoxyethyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

IUPAC name

1-(5-chloro-2-methylphenyl)-4-[1-(2-phenoxyethyl)-1H-13-benzodiazol-2-yl]pyrrolidin-2-one

SMILES

Cc(ccc(Cl)c1)c1N(CC(C1)c2nc(cccc3)c3n2CCOc2ccccc2)C1=O

InChI

InChI=1S/C26H24ClN3O2/c1-18-11-12-20(27)16-24(18)30-17-19(15-25(30)31)26-28-22-9-5-6-10-23(22)29(26)13-14-32-21-7-3-2-4-8-21/h2-12,16,19H,13-15,17H2,1H3/t19-/m1/s1

InChI Key

YXEBCGRNYHYLFP-LJQANCHMSA-N

MDL Number (MFCD)

MFCD05897961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.95

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

6.018

Distribution Coefficient, logD

6.018

Water Solubility, LogSw

-5.96

Polar Surface Area

33.741

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with C630-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0104?
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What is the minimum amount of C630-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0104
  • 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 C630-0104 available by request