Y040-5199 Screening compound: 4-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino]-N~1~-isopropyl-4-oxobutanamide

Y040-5199 Screening compound: 4-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino]-N~1~-isopropyl-4-oxobutanamide
Y040-5199 Screening compound: 4-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino]-N~1~-isopropyl-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5199
4-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino]-N~1~-isopropyl-4-oxobutanamide

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

Y040-5199

Molecular Formula

C19H24FN3O3 (C19 H24 FN3 O3)

Compound Name

4-[4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidino]-N~1~-isopropyl-4-oxobutanamide

IUPAC name

4-[4-(6-fluoro-12-benzoxazol-3-yl)piperidin-1-yl]-4-oxo-N-(propan-2-yl)butanamide

SMILES

CC(C)NC(CCC(N(CC1)CCC1c1noc2c1ccc(F)c2)=O)=O

InChI

InChI=1S/C19H24FN3O3/c1-12(2)21-17(24)5-6-18(25)23-9-7-13(8-10-23)19-15-4-3-14(20)11-16(15)26-22-19/h3-4,11-13H,5-10H2,1-2H3,(H,21,24)

InChI Key

WATVZHLQRHPIFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12208579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.388

Distribution Coefficient, logD

2.388

Water Solubility, LogSw

-2.81

Polar Surface Area

62.004

Acid Dissociation Constant (pKa)

15.27

Base Dissociation Constant (pKb)

0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

References: we are preparing a list of scientific research reports with Y040-5199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5199?
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What is the minimum amount of Y040-5199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5199
  • 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 Y040-5199 available by request