K786-6178 Screening compound: 4-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

K786-6178 Screening compound: 4-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
K786-6178 Screening compound: 4-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-6178
4-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-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

K786-6178

Molecular Formula

C22H24ClN3O3 (C22 H24 ClN3 O3)

Compound Name

4-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

4-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-34-dihydro-2H-14-benzoxazin-3-one

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(CCN1c(cccc2)c2OCC1=O)=O

InChI

InChI=1S/C22H24ClN3O3/c1-16-6-7-17(23)14-19(16)24-10-12-25(13-11-24)21(27)8-9-26-18-4-2-3-5-20(18)29-15-22(26)28/h2-7,14H,8-13,15H2,1H3

InChI Key

UPIFTJDLPGGRQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15101377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.9

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

3.102

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.35

Polar Surface Area

43.398

Acid Dissociation Constant (pKa)

20.82

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

K786-6178 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 K786-6178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-6178?
Check Price and Availability of K786-6178, 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 K786-6178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-6178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-6178
  • 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 K786-6178 available by request