K788-6761 Screening compound: 4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}benzamide

K788-6761 Screening compound: 4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}benzamide
K788-6761 Screening compound: 4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-6761
4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}benzamide

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

K788-6761

Molecular Formula

C35H32Cl2N4O3 (C35 H32 Cl2 N4 O3)

Compound Name

4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene]methyl}-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}benzamide

IUPAC name

4-{[(2Z)-4-[(4-chlorophenyl)methyl]-3-oxo-34-dihydro-2H-14-benzoxazin-2-ylidene]methyl}-N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}benzamide

SMILES

O=C(c1ccc(/C=C2\Oc(cccc3)c3N(Cc(cc3)ccc3Cl)C2=O)cc1)NCCN(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C35H32Cl2N4O3/c36-28-14-10-26(11-15-28)24-41-31-6-1-2-7-32(31)44-33(35(41)43)22-25-8-12-27(13-9-25)34(42)38-16-17-39-18-20-40(21-19-39)30-5-3-4-29(37)23-30/h1-15,22-23H,16-21,24H2,(H,38,42)

InChI Key

SJLXVMYITCDKAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15106712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

627.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.493

Distribution Coefficient, logD

6.469

Water Solubility, LogSw

-6.58

Polar Surface Area

54.530

Acid Dissociation Constant (pKa)

12.35

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K788-6761 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K788-6761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-6761?
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What is the minimum amount of K788-6761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-6761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-6761
  • 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 K788-6761 available by request