C630-0488 Screening compound: 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one

C630-0488 Screening compound: 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one
C630-0488 Screening compound: 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0488
4-{1-[(2-fluorophenyl)methyl]-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

C630-0488

Molecular Formula

C25H22FN3OS (C25 H22 FN3 OS)

Compound Name

4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one

IUPAC name

4-{1-[(2-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}-1-[3-(methylsulfanyl)phenyl]pyrrolidin-2-one

SMILES

CSc1cc(N(CC(C2)c3nc(cccc4)c4n3Cc(cccc3)c3F)C2=O)ccc1

InChI

InChI=1S/C25H22FN3OS/c1-31-20-9-6-8-19(14-20)28-16-18(13-24(28)30)25-27-22-11-4-5-12-23(22)29(25)15-17-7-2-3-10-21(17)26/h2-12,14,18H,13,15-16H2,1H3/t18-/m1/s1

InChI Key

GBRXORVSARAYTI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD05713498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

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

5.405

Distribution Coefficient, logD

5.405

Water Solubility, LogSw

-5.31

Polar Surface Area

26.645

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C630-0488 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C630-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0488?
Check Price and Availability of C630-0488, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C630-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0488
  • 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 C630-0488 available by request