M121-1688 Screening compound: 1-benzyl-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinolin-2-one

M121-1688 Screening compound: 1-benzyl-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinolin-2-one
M121-1688 Screening compound: 1-benzyl-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M121-1688
1-benzyl-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinolin-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

M121-1688

Molecular Formula

C27H26FN3O2 (C27 H26 FN3 O2)

Compound Name

1-benzyl-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroquinolin-2-one

IUPAC name

1-benzyl-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1234-tetrahydroquinolin-2-one

SMILES

O=C(c(cc1)cc(CC2)c1N(Cc1ccccc1)C2=O)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C27H26FN3O2/c28-23-8-4-5-9-25(23)29-14-16-30(17-15-29)27(33)22-10-12-24-21(18-22)11-13-26(32)31(24)19-20-6-2-1-3-7-20/h1-10,12,18H,11,13-17,19H2

InChI Key

WYFOXXCOAVZKNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27498188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.581

Distribution Coefficient, logD

4.581

Water Solubility, LogSw

-4.49

Polar Surface Area

35.227

Acid Dissociation Constant (pKa)

21.02

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

M121-1688 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M121-1688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M121-1688?
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What is the minimum amount of M121-1688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M121-1688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M121-1688
  • 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 M121-1688 available by request