K788-5918 Screening compound: (2Z)-2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

K788-5918 Screening compound: (2Z)-2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
K788-5918 Screening compound: (2Z)-2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5918
(2Z)-2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

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

K788-5918

Molecular Formula

C27H25BrN4O4 (C27 H25 BrN4 O4)

Compound Name

(2Z)-2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

(2Z)-2-[(3-bromo-4-methoxyphenyl)methylidene]-4-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

COc(ccc(/C=C1\Oc(cccc2)c2N(CC(N(CC2)CCN2c2ncccc2)=O)C1=O)c1)c1Br

InChI

InChI=1S/C27H25BrN4O4/c1-35-22-10-9-19(16-20(22)28)17-24-27(34)32(21-6-2-3-7-23(21)36-24)18-26(33)31-14-12-30(13-15-31)25-8-4-5-11-29-25/h2-11,16-17H,12-15,18H2,1H3

InChI Key

AXJZEOYFYTXHCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.007

Distribution Coefficient, logD

3.998

Water Solubility, LogSw

-4.25

Polar Surface Area

58.827

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with K788-5918 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5918?
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What is the minimum amount of K788-5918 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5918
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5918
  • 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 K788-5918 available by request