K788-5299 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

K788-5299 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
K788-5299 Screening compound: (2E)-2-[(3-chlorophenyl)methylidene]-4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5299
(2E)-2-[(3-chlorophenyl)methylidene]-4-{2-[4-(3-chlorophenyl)piperazin-1-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

K788-5299

Molecular Formula

C27H23Cl2N3O3 (C27 H23 Cl2 N3 O3)

Compound Name

(2E)-2-[(3-chlorophenyl)methylidene]-4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

(2E)-2-[(3-chlorophenyl)methylidene]-4-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

O=C(CN(c(cccc1)c1O/C1=C/c2cc(Cl)ccc2)C1=O)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C27H23Cl2N3O3/c28-20-6-3-5-19(15-20)16-25-27(34)32(23-9-1-2-10-24(23)35-25)18-26(33)31-13-11-30(12-14-31)22-8-4-7-21(29)17-22/h1-10,15-17H,11-14,18H2

InChI Key

DSPQFDAPIJIWMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.107

Distribution Coefficient, logD

5.107

Water Solubility, LogSw

-5.56

Polar Surface Area

42.686

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with K788-5299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5299?
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What is the minimum amount of K788-5299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5299
  • 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 K788-5299 available by request