Y040-9434 Screening compound: 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid

Y040-9434 Screening compound: 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
Y040-9434 Screening compound: 5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9434
5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid

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

Y040-9434

Molecular Formula

C17H19FN2O4 (C17 H19 FN2 O4)

Compound Name

5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid

IUPAC name

5-[4-(6-fluoro-12-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid

SMILES

OC(CCCC(N(CC1)CCC1c1noc2c1ccc(F)c2)=O)=O

InChI

InChI=1S/C17H19FN2O4/c18-12-4-5-13-14(10-12)24-19-17(13)11-6-8-20(9-7-11)15(21)2-1-3-16(22)23/h4-5,10-11H,1-3,6-9H2,(H,22,23)

InChI Key

WNIJWPIOKKTCBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13176457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.104

Distribution Coefficient, logD

-0.493

Water Solubility, LogSw

-2.39

Polar Surface Area

66.942

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

Y040-9434 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-9434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9434?
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What is the minimum amount of Y040-9434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9434
  • 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 Y040-9434 available by request