K788-6678 Screening compound: N-[3-(dipropylamino)propyl]-2-[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

K788-6678 Screening compound: N-[3-(dipropylamino)propyl]-2-[(2Z)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
K788-6678 Screening compound: N-[3-(dipropylamino)propyl]-2-[(2Z)-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 K788-6678
N-[3-(dipropylamino)propyl]-2-[(2Z)-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

K788-6678

Molecular Formula

C26H32FN3O3 (C26 H32 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CCC)CCCNC(CN(c(cccc1)c1O/C1=C\c(cccc2)c2F)C1=O)=O

InChI

InChI=1S/C26H32FN3O3/c1-3-15-29(16-4-2)17-9-14-28-25(31)19-30-22-12-7-8-13-23(22)33-24(26(30)32)18-20-10-5-6-11-21(20)27/h5-8,10-13,18H,3-4,9,14-17,19H2,1-2H3,(H,28,31)

InChI Key

RABPICISGRCWPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.056

Distribution Coefficient, logD

1.239

Water Solubility, LogSw

-4.02

Polar Surface Area

51.536

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

10.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

K788-6678 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K788-6678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6678?
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What is the minimum amount of K788-6678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6678
  • 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 K788-6678 available by request