Y041-8479 Screening compound: 5-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(pyridin-4-yl)pentanamide

Y041-8479 Screening compound: 5-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(pyridin-4-yl)pentanamide
Y041-8479 Screening compound: 5-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(pyridin-4-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8479
5-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(pyridin-4-yl)pentanamide

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

Y041-8479

Molecular Formula

C22H23FN4O3 (C22 H23 FN4 O3)

Compound Name

5-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(pyridin-4-yl)pentanamide

IUPAC name

5-[4-(5-fluoro-12-benzoxazol-3-yl)piperidin-1-yl]-5-oxo-N-(pyridin-4-yl)pentanamide

SMILES

O=C(CCCC(N(CC1)CCC1c1noc(cc2)c1cc2F)=O)Nc1ccncc1

InChI

InChI=1S/C22H23FN4O3/c23-16-4-5-19-18(14-16)22(26-30-19)15-8-12-27(13-9-15)21(29)3-1-2-20(28)25-17-6-10-24-11-7-17/h4-7,10-11,14-15H,1-3,8-9,12-13H2,(H,24,25,28)

InChI Key

BYQKNTNDFODMIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16624938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.403

Distribution Coefficient, logD

2.328

Water Solubility, LogSw

-2.70

Polar Surface Area

70.865

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

Y041-8479 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y041-8479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8479?
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What is the minimum amount of Y041-8479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8479
  • 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 Y041-8479 available by request