K788-6603 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide

K788-6603 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-2-[(2E)-2-[(2-fluorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]acetamide
K788-6603 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-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 K788-6603
N-[1-(4-butoxyphenyl)ethyl]-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

K788-6603

Molecular Formula

C29H29FN2O4 (C29 H29 FN2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc1ccc(C(C)NC(CN(c(cccc2)c2O/C2=C/c(cccc3)c3F)C2=O)=O)cc1

InChI

InChI=1S/C29H29FN2O4/c1-3-4-17-35-23-15-13-21(14-16-23)20(2)31-28(33)19-32-25-11-7-8-12-26(25)36-27(29(32)34)18-22-9-5-6-10-24(22)30/h5-16,18,20H,3-4,17,19H2,1-2H3,(H,31,33)/t20-/m0/s1

InChI Key

AOOKBIMYTACOIO-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15106596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.56

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

5.767

Distribution Coefficient, logD

5.767

Water Solubility, LogSw

-5.48

Polar Surface Area

54.085

Acid Dissociation Constant (pKa)

14.25

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

K788-6603 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K788-6603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6603?
Check Price and Availability of K788-6603, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K788-6603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6603
  • 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 K788-6603 available by request