C630-0322 Screening compound: 1-benzyl-4-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one

C630-0322 Screening compound: 1-benzyl-4-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one
C630-0322 Screening compound: 1-benzyl-4-{1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C630-0322
1-benzyl-4-{1-[(4-fluorophenyl)methyl]-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

C630-0322

Molecular Formula

C25H22FN3O (C25 H22 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1)N(Cc2ccccc2)CC1c1nc(cccc2)c2n1Cc(cc1)ccc1F

InChI

InChI=1S/C25H22FN3O/c26-21-12-10-19(11-13-21)16-29-23-9-5-4-8-22(23)27-25(29)20-14-24(30)28(17-20)15-18-6-2-1-3-7-18/h1-13,20H,14-17H2/t20-/m0/s1

InChI Key

HGEIHTWJZIFYQN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD04471802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

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

4.389

Distribution Coefficient, logD

4.388

Water Solubility, LogSw

-4.44

Polar Surface Area

27.091

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C630-0322 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C630-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C630-0322?
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What is the minimum amount of C630-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C630-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C630-0322
  • 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 C630-0322 available by request