D347-2953 Screening compound: 4-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one

D347-2953 Screening compound: 4-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
D347-2953 Screening compound: 4-{1-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-2953
4-{1-[(2-chlorophenyl)methyl]-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

D347-2953

Molecular Formula

C25H21ClFN3O (C25 H21 ClFN3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1)N(Cc(cc2)ccc2F)CC1c1nc(cccc2)c2n1Cc(cccc1)c1Cl

InChI

InChI=1S/C25H21ClFN3O/c26-21-6-2-1-5-18(21)16-30-23-8-4-3-7-22(23)28-25(30)19-13-24(31)29(15-19)14-17-9-11-20(27)12-10-17/h1-12,19H,13-16H2/t19-/m0/s1

InChI Key

ISMMSHNMHZJTAO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD09353253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.91

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

5.010

Distribution Coefficient, logD

5.010

Water Solubility, LogSw

-5.07

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

D347-2953 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D347-2953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-2953?
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What is the minimum amount of D347-2953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-2953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-2953
  • 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 D347-2953 available by request