Y031-5618 Screening compound: N-(1,3-benzothiazol-2-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide

Y031-5618 Screening compound: N-(1,3-benzothiazol-2-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
Y031-5618 Screening compound: N-(1,3-benzothiazol-2-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-5618
N-(1,3-benzothiazol-2-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide

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

Y031-5618

Molecular Formula

C20H18FN3O2S (C20 H18 FN3 O2 S)

Compound Name

N-(1,3-benzothiazol-2-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide

IUPAC name

N-(13-benzothiazol-2-yl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(c1cc(F)ccc1)=O)Nc1nc(cccc2)c2s1

InChI

InChI=1S/C20H18FN3O2S/c21-15-5-3-4-14(12-15)19(26)24-10-8-13(9-11-24)18(25)23-20-22-16-6-1-2-7-17(16)27-20/h1-7,12-13H,8-11H2,(H,22,23,25)

InChI Key

WPEBRCKDOGPIQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09457511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.404

Distribution Coefficient, logD

3.404

Water Solubility, LogSw

-3.70

Polar Surface Area

49.739

Acid Dissociation Constant (pKa)

10.69

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y031-5618 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y031-5618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-5618?
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What is the minimum amount of Y031-5618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-5618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-5618
  • 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 Y031-5618 available by request