C630-0482 Screening compound: 4-[1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one

C630-0482 Screening compound: 4-[1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one
C630-0482 Screening compound: 4-[1-(2-methylprop-2-en-1-yl)-1H-1,3-benzodiazol-2-yl]-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0482
4-[1-(2-methylprop-2-en-1-yl)-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

C630-0482

Molecular Formula

C22H23N3OS (C22 H23 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(Cn1c(cccc2)c2nc1C(CC1=O)CN1c1cccc(SC)c1)=C

InChI

InChI=1S/C22H23N3OS/c1-15(2)13-25-20-10-5-4-9-19(20)23-22(25)16-11-21(26)24(14-16)17-7-6-8-18(12-17)27-3/h4-10,12,16H,1,11,13-14H2,2-3H3/t16-/m1/s1

InChI Key

XSCVXBRNWQSIOY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD05713493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.51

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

4.753

Distribution Coefficient, logD

4.753

Water Solubility, LogSw

-4.56

Polar Surface Area

26.917

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

C630-0482 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C630-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0482?
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What is the minimum amount of C630-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0482
  • 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 C630-0482 available by request