K788-0565 Screening compound: 2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-cyclopentylacetamide

K788-0565 Screening compound: 2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-cyclopentylacetamide
K788-0565 Screening compound: 2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0565
2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-cyclopentylacetamide

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

K788-0565

Molecular Formula

C22H21BrN2O3 (C22 H21 BrN2 O3)

Compound Name

2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-cyclopentylacetamide

IUPAC name

2-[(2E)-2-[(3-bromophenyl)methylidene]-3-oxo-34-dihydro-2H-14-benzoxazin-4-yl]-N-cyclopentylacetamide

SMILES

O=C(CN(c(cccc1)c1O/C1=C/c2cccc(Br)c2)C1=O)NC1CCCC1

InChI

InChI=1S/C22H21BrN2O3/c23-16-7-5-6-15(12-16)13-20-22(27)25(18-10-3-4-11-19(18)28-20)14-21(26)24-17-8-1-2-9-17/h3-7,10-13,17H,1-2,8-9,14H2,(H,24,26)

InChI Key

ZVBKYYUFVJTQMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.546

Distribution Coefficient, logD

4.546

Water Solubility, LogSw

-4.51

Polar Surface Area

47.596

Acid Dissociation Constant (pKa)

16.40

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with K788-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0565?
Check Price and Availability of K788-0565, 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 K788-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0565
  • 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 K788-0565 available by request