Y042-6618 Screening compound: [4-(1H-1,3-benzimidazol-2-yl)piperidino](8-fluoro-4-hydroxy-3-quinolyl)methanone

Y042-6618 Screening compound: [4-(1H-1,3-benzimidazol-2-yl)piperidino](8-fluoro-4-hydroxy-3-quinolyl)methanone
Y042-6618 Screening compound: [4-(1H-1,3-benzimidazol-2-yl)piperidino](8-fluoro-4-hydroxy-3-quinolyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-6618
[4-(1H-1,3-benzimidazol-2-yl)piperidino](8-fluoro-4-hydroxy-3-quinolyl)methanone

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

Y042-6618

Molecular Formula

C22H19FN4O2 (C22 H19 FN4 O2)

Compound Name

[4-(1H-1,3-benzimidazol-2-yl)piperidino](8-fluoro-4-hydroxy-3-quinolyl)methanone

IUPAC name

3-[4-(1H-13-benzodiazol-2-yl)piperidine-1-carbonyl]-8-fluoroquinolin-4-ol

SMILES

Oc1c(cccc2F)c2ncc1C(N(CC1)CCC1c1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C22H19FN4O2/c23-16-5-3-4-14-19(16)24-12-15(20(14)28)22(29)27-10-8-13(9-11-27)21-25-17-6-1-2-7-18(17)26-21/h1-7,12-13H,8-11H2,(H,24,28)(H,25,26)

InChI Key

PWULDMZVZIDGMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28057511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.217

Distribution Coefficient, logD

3.178

Water Solubility, LogSw

-3.20

Polar Surface Area

61.008

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

Y042-6618 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-6618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-6618?
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What is the minimum amount of Y042-6618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-6618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-6618
  • 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 Y042-6618 available by request