K788-6294 Screening compound: (2E)-2-[(2-bromophenyl)methylidene]-4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

K788-6294 Screening compound: (2E)-2-[(2-bromophenyl)methylidene]-4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
K788-6294 Screening compound: (2E)-2-[(2-bromophenyl)methylidene]-4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6294
(2E)-2-[(2-bromophenyl)methylidene]-4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-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

K788-6294

Molecular Formula

C24H23BrN2O5 (C24 H23 BrN2 O5)

Compound Name

(2E)-2-[(2-bromophenyl)methylidene]-4-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

(2E)-2-[(2-bromophenyl)methylidene]-4-(2-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-oxoethyl)-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(CN(c(cccc1)c1O/C1=C/c(cccc2)c2Br)C1=O)N(CC1)CCC11OCCO1

InChI

InChI=1S/C24H23BrN2O5/c25-18-6-2-1-5-17(18)15-21-23(29)27(19-7-3-4-8-20(19)32-21)16-22(28)26-11-9-24(10-12-26)30-13-14-31-24/h1-8,15H,9-14,16H2

InChI Key

DZGWEYFRAYSJHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.973

Distribution Coefficient, logD

2.973

Water Solubility, LogSw

-3.55

Polar Surface Area

53.862

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K788-6294 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K788-6294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6294?
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What is the minimum amount of K788-6294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6294
  • 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 K788-6294 available by request