K788-6453 Screening compound: 2-[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide

K788-6453 Screening compound: 2-[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide
K788-6453 Screening compound: 2-[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6453
2-[(2E)-2-[(2-bromophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl]-N-(1-phenylethyl)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

K788-6453

Molecular Formula

C25H21BrN2O3 (C25 H21 BrN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(c1ccccc1)NC(CN(c(cccc1)c1O/C1=C/c(cccc2)c2Br)C1=O)=O

InChI

InChI=1S/C25H21BrN2O3/c1-17(18-9-3-2-4-10-18)27-24(29)16-28-21-13-7-8-14-22(21)31-23(25(28)30)15-19-11-5-6-12-20(19)26/h2-15,17H,16H2,1H3,(H,27,29)/t17-/m0/s1

InChI Key

GBGRRASBYNAOCI-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15106496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.794

Distribution Coefficient, logD

4.794

Water Solubility, LogSw

-4.53

Polar Surface Area

46.667

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with K788-6453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6453?
Check Price and Availability of K788-6453, 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 K788-6453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6453
  • 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 K788-6453 available by request