8016-0984 Screening compound: 4-[1-(2-chloro-6-fluorobenzyl)-1H-1,3-benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-2-pyrrolidinone

8016-0984 Screening compound: 4-[1-(2-chloro-6-fluorobenzyl)-1H-1,3-benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-2-pyrrolidinone
8016-0984 Screening compound: 4-[1-(2-chloro-6-fluorobenzyl)-1H-1,3-benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-2-pyrrolidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0984
4-[1-(2-chloro-6-fluorobenzyl)-1H-1,3-benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-2-pyrrolidinone

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

8016-0984

Molecular Formula

C25H18ClF4N3O (C25 H18 ClF4 N3 O)

Compound Name

4-[1-(2-chloro-6-fluorobenzyl)-1H-1,3-benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]-2-pyrrolidinone

IUPAC name

4-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-13-benzodiazol-2-yl}-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one

SMILES

O=C(CC(C1)c2nc(cccc3)c3n2Cc(c(F)ccc2)c2Cl)N1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C25H18ClF4N3O/c26-19-7-4-8-20(27)18(19)14-33-22-10-2-1-9-21(22)31-24(33)15-11-23(34)32(13-15)17-6-3-5-16(12-17)25(28,29)30/h1-10,12,15H,11,13-14H2/t15-/m0/s1

InChI Key

GIWXZAMVDXJHHP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05260214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.88

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

6.168

Distribution Coefficient, logD

6.168

Water Solubility, LogSw

-6.37

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 8016-0984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0984?
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What is the minimum amount of 8016-0984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0984
  • 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 8016-0984 available by request