D347-2790 Screening compound: 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(3-methylphenyl)pyrrolidin-2-one

D347-2790 Screening compound: 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(3-methylphenyl)pyrrolidin-2-one
D347-2790 Screening compound: 4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(3-methylphenyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-2790
4-{1-[(2-fluorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-(3-methylphenyl)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

D347-2790

Molecular Formula

C25H22FN3O (C25 H22 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(N(CC(C2)c3nc(cccc4)c4n3Cc(cccc3)c3F)C2=O)c1

InChI

InChI=1S/C25H22FN3O/c1-17-7-6-9-20(13-17)28-16-19(14-24(28)30)25-27-22-11-4-5-12-23(22)29(25)15-18-8-2-3-10-21(18)26/h2-13,19H,14-16H2,1H3/t19-/m0/s1

InChI Key

NIBKLEOQERPEDY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04187364

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

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.475

Distribution Coefficient, logD

5.475

Water Solubility, LogSw

-5.34

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

References: we are preparing a list of scientific research reports with D347-2790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-2790?
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What is the minimum amount of D347-2790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-2790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-2790
  • 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 D347-2790 available by request