C630-0072 Screening compound: 1-(3,4-dimethylphenyl)-4-[1-(2-phenylethyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

C630-0072 Screening compound: 1-(3,4-dimethylphenyl)-4-[1-(2-phenylethyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one
C630-0072 Screening compound: 1-(3,4-dimethylphenyl)-4-[1-(2-phenylethyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0072
1-(3,4-dimethylphenyl)-4-[1-(2-phenylethyl)-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

C630-0072

Molecular Formula

C27H27N3O (C27 H27 N3 O)

Compound Name

1-(3,4-dimethylphenyl)-4-[1-(2-phenylethyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

IUPAC name

1-(34-dimethylphenyl)-4-[1-(2-phenylethyl)-1H-13-benzodiazol-2-yl]pyrrolidin-2-one

SMILES

Cc(cc1)c(C)cc1N(CC(C1)c2nc(cccc3)c3n2CCc2ccccc2)C1=O

InChI

InChI=1S/C27H27N3O/c1-19-12-13-23(16-20(19)2)30-18-22(17-26(30)31)27-28-24-10-6-7-11-25(24)29(27)15-14-21-8-4-3-5-9-21/h3-13,16,22H,14-15,17-18H2,1-2H3/t22-/m1/s1

InChI Key

XTJDSUKJLLUFOA-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD05713374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.980

Distribution Coefficient, logD

5.980

Water Solubility, LogSw

-5.41

Polar Surface Area

26.624

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with C630-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0072?
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What is the minimum amount of C630-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0072
  • 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 C630-0072 available by request