C630-0487 Screening compound: 4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one

C630-0487 Screening compound: 4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one
C630-0487 Screening compound: 4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0487
4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-1-[3-(methylsulfanyl)phenyl]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

C630-0487

Molecular Formula

C25H23N3OS (C25 H23 N3 OS)

Compound Name

4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one

IUPAC name

4-(1-benzyl-1H-13-benzodiazol-2-yl)-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one

SMILES

CSc1cc(N(CC(C2)c3nc(cccc4)c4n3Cc3ccccc3)C2=O)ccc1

InChI

InChI=1S/C25H23N3OS/c1-30-21-11-7-10-20(15-21)27-17-19(14-24(27)29)25-26-22-12-5-6-13-23(22)28(25)16-18-8-3-2-4-9-18/h2-13,15,19H,14,16-17H2,1H3/t19-/m1/s1

InChI Key

HGAYIYDMHUEUFI-LJQANCHMSA-N

MDL Number (MFCD)

MFCD05713497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.127

Distribution Coefficient, logD

5.127

Water Solubility, LogSw

-5.00

Polar Surface Area

26.645

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C630-0487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0487?
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What is the minimum amount of C630-0487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0487
  • 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 C630-0487 available by request