D347-2946 Screening compound: 4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one

D347-2946 Screening compound: 4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
D347-2946 Screening compound: 4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-2946
4-(1-benzyl-1H-1,3-benzodiazol-2-yl)-1-[(4-fluorophenyl)methyl]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

D347-2946

Molecular Formula

C25H22FN3O (C25 H22 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1)N(Cc(cc2)ccc2F)CC1c1nc(cccc2)c2n1Cc1ccccc1

InChI

InChI=1S/C25H22FN3O/c26-21-12-10-19(11-13-21)15-28-17-20(14-24(28)30)25-27-22-8-4-5-9-23(22)29(25)16-18-6-2-1-3-7-18/h1-13,20H,14-17H2/t20-/m1/s1

InChI Key

TYYWIFXMHQQHPI-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD09353255

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

D347-2946 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Immunological Library (6760 compounds)

PI3K-Targeted Library (17255 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D347-2946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-2946?
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What is the minimum amount of D347-2946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-2946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-2946
  • 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 D347-2946 available by request