K788-6604 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

K788-6604 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
K788-6604 Screening compound: N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6604
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

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

K788-6604

Molecular Formula

C32H34FN3O3 (C32 H34 FN3 O3)

Compound Name

N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

IUPAC name

N-[3-(4-benzylpiperidin-1-yl)propyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]acetamide

SMILES

O=C(CN(c(cccc1)c1O/C1=C/c(cccc2)c2F)C1=O)NCCCN1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C32H34FN3O3/c33-27-12-5-4-11-26(27)22-30-32(38)36(28-13-6-7-14-29(28)39-30)23-31(37)34-17-8-18-35-19-15-25(16-20-35)21-24-9-2-1-3-10-24/h1-7,9-14,22,25H,8,15-21,23H2,(H,34,37)

InChI Key

YWUBPAZQQXJDMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.280

Distribution Coefficient, logD

3.187

Water Solubility, LogSw

-5.50

Polar Surface Area

51.057

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

9.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with K788-6604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6604?
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What is the minimum amount of K788-6604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6604
  • 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 K788-6604 available by request